2-tert-butylaniline;tert-butylbenzene;7-tert-butyl-3H-1-benzothiophen-2-one;1-tert-butyl-2-chlorobenzene;7-tert-butyl-6-chloro-3H-indole;2-tert-butyl-3-chloropyridine;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-3-fluoro-1H-indene;4-tert-butyl-3-fluoro-1-methylpyridin-1-ium;(5-tert-butylfuran-2-yl)methanol;4-tert-butyl-1H-indene;1-(7-tert-butyl-3H-inden-1-yl)-N,N-dimethylmethanamine;7-tert-butyl-3H-indole;4-tert-butyl-3-propyl-1H-indene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;5-tert-butyl-1,3-thiazole

C208H283Cl3F3N12O3S2+ — CID 157438093

IUPAC2-tert-butylaniline;tert-butylbenzene;7-tert-butyl-3H-1-benzothiophen-2-one;1-tert-butyl-2-chlorobenzene;7-tert-butyl-6-chloro-3H-indole;2-tert-butyl-3-chloropyridine;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-3-fluoro-1H-indene;4-tert-butyl-3-fluoro-1-methylpyridin-1-ium;(5-tert-butylfuran-2-yl)methanol;4-tert-butyl-1H-indene;1-(7-tert-butyl-3H-inden-1-yl)-N,N-dimethylmethanamine;7-tert-butyl-3H-indole;4-tert-butyl-3-propyl-1H-indene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;5-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1c(Cl)ccc2c1N=CC2.CC(C)(C)c1ccc(CO)o1.CC(C)(C)c1cccc2c1C(F)=CC2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1CCC2.CC(C)(C)c1cccc2c1N=CC2.CC(C)(C)c1cccc2c1SC(=O)C2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccc1N.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc(N)n1.CC(C)(C)c1cncs1.CC(C)(C)c1ncccc1Cl.CCCC1=CCc2cccc(C(C)(C)C)c21.CN(C)CC1=CCc2cccc(C(C)(C)C)c21.C[n+]1ccc(C(C)(C)C)c(F)c1
InChIInChI=1S/C16H23N.C16H22.C13H15F.C13H18.C13H16.C12H14ClN.C12H15N.C12H14OS.C10H13Cl.C10H15FN.C10H13F.C10H15N.C10H14.C9H12ClN.2C9H13N.C9H14O2.C8H13N3.C7H11NS/c1-16(2,3)14-8-6-7-12-9-10-13(15(12)14)11-17(4)5;1-5-7-12-10-11-13-8-6-9-14(15(12)13)16(2,3)4;1-13(2,3)10-6-4-5-9-7-8-11(14)12(9)10;2*1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-12(2,3)10-9(13)5-4-8-6-7-14-11(8)10;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)9-6-4-5-8-7-10(13)14-11(8)9;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-5-6-12(4)7-9(8)11;2*1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-5-4-7(6-10)11-8;1-8(2,3)6-4-5-10-7(9)11-6;1-7(2,3)6-4-8-5-9-6/h6-8,10H,9,11H2,1-5H3;6,8-10H,5,7,11H2,1-4H3;4-6,8H,7H2,1-3H3;5,7,9H,4,6,8H2,1-3H3;4-5,7-9H,6H2,1-3H3;4-5,7H,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-6H,7H2,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;4-7H,11H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-5,10H,6H2,1-3H3;4-5H,1-3H3,(H2,9,10,11);4-5H,1-3H3/q;;;;;;;;;+1;;;;;;;;;
InChIKeyBRIOSOHRNUGGFI-UHFFFAOYSA-N
MW3227.12 g/mol
LogP57.30
Rot. Bonds5

About 2-tert-butylaniline;tert-butylbenzene;7-tert-butyl-3H-1-benzothiophen-2-one;1-tert-butyl-2-chlorobenzene;7-tert-butyl-6-chloro-3H-indole;2-tert-butyl-3-chloropyridine;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-3-fluoro-1H-indene;4-tert-butyl-3-fluoro-1-methylpyridin-1-ium;(5-tert-butylfuran-2-yl)methanol;4-tert-butyl-1H-indene;1-(7-tert-butyl-3H-inden-1-yl)-N,N-dimethylmethanamine;7-tert-butyl-3H-indole;4-tert-butyl-3-propyl-1H-indene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;5-tert-butyl-1,3-thiazole

2-tert-butylaniline;tert-butylbenzene;7-tert-butyl-3H-1-benzothiophen-2-one;1-tert-butyl-2-chlorobenzene;7-tert-butyl-6-chloro-3H-indole;2-tert-butyl-3-chloropyridine;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-3-fluoro-1H-indene;4-tert-butyl-3-fluoro-1-methylpyridin-1-ium;(5-tert-butylfuran-2-yl)methanol;4-tert-butyl-1H-indene;1-(7-tert-butyl-3H-inden-1-yl)-N,N-dimethylmethanamine;7-tert-butyl-3H-indole;4-tert-butyl-3-propyl-1H-indene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;5-tert-butyl-1,3-thiazole (PubChem CID 157438093) has the molecular formula C208H283Cl3F3N12O3S2+ and a molecular weight of 3227.12 g/mol. Its IUPAC name is 2-tert-butylaniline;tert-butylbenzene;7-tert-butyl-3H-1-benzothiophen-2-one;1-tert-butyl-2-chlorobenzene;7-tert-butyl-6-chloro-3H-indole;2-tert-butyl-3-chloropyridine;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-3-fluoro-1H-indene;4-tert-butyl-3-fluoro-1-methylpyridin-1-ium;(5-tert-butylfuran-2-yl)methanol;4-tert-butyl-1H-indene;1-(7-tert-butyl-3H-inden-1-yl)-N,N-dimethylmethanamine;7-tert-butyl-3H-indole;4-tert-butyl-3-propyl-1H-indene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;5-tert-butyl-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butylaniline;tert-butylbenzene;7-tert-butyl-3H-1-benzothiophen-2-one;1-tert-butyl-2-chlorobenzene;7-tert-butyl-6-chloro-3H-indole;2-tert-butyl-3-chloropyridine;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-3-fluoro-1H-indene;4-tert-butyl-3-fluoro-1-methylpyridin-1-ium;(5-tert-butylfuran-2-yl)methanol;4-tert-butyl-1H-indene;1-(7-tert-butyl-3H-inden-1-yl)-N,N-dimethylmethanamine;7-tert-butyl-3H-indole;4-tert-butyl-3-propyl-1H-indene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;5-tert-butyl-1,3-thiazole
PubChem CID157438093
Molecular FormulaC208H283Cl3F3N12O3S2+
Molecular Weight3227.12 g/mol
Exact Mass3223.08
IUPAC Name2-tert-butylaniline;tert-butylbenzene;7-tert-butyl-3H-1-benzothiophen-2-one;1-tert-butyl-2-chlorobenzene;7-tert-butyl-6-chloro-3H-indole;2-tert-butyl-3-chloropyridine;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-3-fluoro-1H-indene;4-tert-butyl-3-fluoro-1-methylpyridin-1-ium;(5-tert-butylfuran-2-yl)methanol;4-tert-butyl-1H-indene;1-(7-tert-butyl-3H-inden-1-yl)-N,N-dimethylmethanamine;7-tert-butyl-3H-indole;4-tert-butyl-3-propyl-1H-indene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;5-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1c(Cl)ccc2c1N=CC2.CC(C)(C)c1ccc(CO)o1.CC(C)(C)c1cccc2c1C(F)=CC2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1CCC2.CC(C)(C)c1cccc2c1N=CC2.CC(C)(C)c1cccc2c1SC(=O)C2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccc1N.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc(N)n1.CC(C)(C)c1cncs1.CC(C)(C)c1ncccc1Cl.CCCC1=CCc2cccc(C(C)(C)C)c21.CN(C)CC1=CCc2cccc(C(C)(C)C)c21.C[n+]1ccc(C(C)(C)C)c(F)c1
InChIInChI=1S/C16H23N.C16H22.C13H15F.C13H18.C13H16.C12H14ClN.C12H15N.C12H14OS.C10H13Cl.C10H15FN.C10H13F.C10H15N.C10H14.C9H12ClN.2C9H13N.C9H14O2.C8H13N3.C7H11NS/c1-16(2,3)14-8-6-7-12-9-10-13(15(12)14)11-17(4)5;1-5-7-12-10-11-13-8-6-9-14(15(12)13)16(2,3)4;1-13(2,3)10-6-4-5-9-7-8-11(14)12(9)10;2*1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-12(2,3)10-9(13)5-4-8-6-7-14-11(8)10;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)9-6-4-5-8-7-10(13)14-11(8)9;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-5-6-12(4)7-9(8)11;2*1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-5-4-7(6-10)11-8;1-8(2,3)6-4-5-10-7(9)11-6;1-7(2,3)6-4-8-5-9-6/h6-8,10H,9,11H2,1-5H3;6,8-10H,5,7,11H2,1-4H3;4-6,8H,7H2,1-3H3;5,7,9H,4,6,8H2,1-3H3;4-5,7-9H,6H2,1-3H3;4-5,7H,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-6H,7H2,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;4-7H,11H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-5,10H,6H2,1-3H3;4-5H,1-3H3,(H2,9,10,11);4-5H,1-3H3/q;;;;;;;;;+1;;;;;;;;;
InChIKeyBRIOSOHRNUGGFI-UHFFFAOYSA-N
XLogP57.30
TPSA211.66 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds5
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003227.12
LogP ≤ 557.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 2-tert-butylaniline;tert-butylbenzene;7-tert-butyl-3H-1-benzothiophen-2-one;1-tert-butyl-2-chlorobenzene;7-tert-butyl-6-chloro-3H-indole;2-tert-butyl-3-chloropyridine;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-3-fluoro-1H-indene;4-tert-butyl-3-fluoro-1-methylpyridin-1-ium;(5-tert-butylfuran-2-yl)methanol;4-tert-butyl-1H-indene;1-(7-tert-butyl-3H-inden-1-yl)-N,N-dimethylmethanamine;7-tert-butyl-3H-indole;4-tert-butyl-3-propyl-1H-indene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;5-tert-butyl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

2-Tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-3-chloropyridine;1-tert-butyl-2-fluorobenzene;4-tert-butyl-3-fluoro-1-methylpyridin-1-ium;(5-tert-butylfuran-2-yl)methanol;4-tert-butyl-2-methylpyrimidine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-1,3-thiazole
CID 157218505
2-Tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-3-chloropyridine;1-tert-butyl-2-fluorobenzene;4-tert-butyl-3-fluoro-1-methylpyridin-1-ium;(5-tert-butylfuran-2-yl)methanol;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;5-tert-butyl-1,3-thiazole
CID 157771608
2-Tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-3-chloropyridine;4-tert-butyl-3-fluoro-1-methylpyridin-1-ium;4-tert-butyl-3-fluoropyridine;(5-tert-butylfuran-2-yl)methanol;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;5-tert-butyl-1,3-thiazole;methane
CID 160440570
2-Tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-3-chloropyridine;1-tert-butyl-2-fluorobenzene;4-tert-butyl-3-fluoro-1-oxidopyridin-1-ium;(5-tert-butylfuran-2-yl)methanol;4-tert-butyl-2-methylpyrimidine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-1,3-thiazole
CID 160919866
2-Tert-butyl-3-chloropyridine;4-tert-butyl-3-chloropyridine;4-tert-butyl-3-fluoro-1-methylpyridin-1-ium;4-tert-butyl-3-fluoropyridine;(5-tert-butylfuran-2-yl)methanol;4-tert-butyl-2-methylpyrimidine;4-tert-butylpyridin-3-amine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-1,3-thiazole;methane
CID 161131146

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylaniline;tert-butylbenzene;7-tert-butyl-3H-1-benzothiophen-2-one;1-tert-butyl-2-chlorobenzene;7-tert-butyl-6-chloro-3H-indole;2-tert-butyl-3-chloropyridine;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-3-fluoro-1H-indene;4-tert-butyl-3-fluoro-1-methylpyridin-1-ium;(5-tert-butylfuran-2-yl)methanol;4-tert-butyl-1H-indene;1-(7-tert-butyl-3H-inden-1-yl)-N,N-dimethylmethanamine;7-tert-butyl-3H-indole;4-tert-butyl-3-propyl-1H-indene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;5-tert-butyl-1,3-thiazole?
The IUPAC name of 2-tert-butylaniline;tert-butylbenzene;7-tert-butyl-3H-1-benzothiophen-2-one;1-tert-butyl-2-chlorobenzene;7-tert-butyl-6-chloro-3H-indole;2-tert-butyl-3-chloropyridine;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-3-fluoro-1H-indene;4-tert-butyl-3-fluoro-1-methylpyridin-1-ium;(5-tert-butylfuran-2-yl)methanol;4-tert-butyl-1H-indene;1-(7-tert-butyl-3H-inden-1-yl)-N,N-dimethylmethanamine;7-tert-butyl-3H-indole;4-tert-butyl-3-propyl-1H-indene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;5-tert-butyl-1,3-thiazole (CID 157438093) is 2-tert-butylaniline;tert-butylbenzene;7-tert-butyl-3H-1-benzothiophen-2-one;1-tert-butyl-2-chlorobenzene;7-tert-butyl-6-chloro-3H-indole;2-tert-butyl-3-chloropyridine;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-3-fluoro-1H-indene;4-tert-butyl-3-fluoro-1-methylpyridin-1-ium;(5-tert-butylfuran-2-yl)methanol;4-tert-butyl-1H-indene;1-(7-tert-butyl-3H-inden-1-yl)-N,N-dimethylmethanamine;7-tert-butyl-3H-indole;4-tert-butyl-3-propyl-1H-indene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;5-tert-butyl-1,3-thiazole.
What is the SMILES notation for 2-tert-butylaniline;tert-butylbenzene;7-tert-butyl-3H-1-benzothiophen-2-one;1-tert-butyl-2-chlorobenzene;7-tert-butyl-6-chloro-3H-indole;2-tert-butyl-3-chloropyridine;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-3-fluoro-1H-indene;4-tert-butyl-3-fluoro-1-methylpyridin-1-ium;(5-tert-butylfuran-2-yl)methanol;4-tert-butyl-1H-indene;1-(7-tert-butyl-3H-inden-1-yl)-N,N-dimethylmethanamine;7-tert-butyl-3H-indole;4-tert-butyl-3-propyl-1H-indene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;5-tert-butyl-1,3-thiazole?
The canonical SMILES for 2-tert-butylaniline;tert-butylbenzene;7-tert-butyl-3H-1-benzothiophen-2-one;1-tert-butyl-2-chlorobenzene;7-tert-butyl-6-chloro-3H-indole;2-tert-butyl-3-chloropyridine;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-3-fluoro-1H-indene;4-tert-butyl-3-fluoro-1-methylpyridin-1-ium;(5-tert-butylfuran-2-yl)methanol;4-tert-butyl-1H-indene;1-(7-tert-butyl-3H-inden-1-yl)-N,N-dimethylmethanamine;7-tert-butyl-3H-indole;4-tert-butyl-3-propyl-1H-indene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;5-tert-butyl-1,3-thiazole is CC(C)(C)c1c(Cl)ccc2c1N=CC2.CC(C)(C)c1ccc(CO)o1.CC(C)(C)c1cccc2c1C(F)=CC2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1CCC2.CC(C)(C)c1cccc2c1N=CC2.CC(C)(C)c1cccc2c1SC(=O)C2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccc1N.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc(N)n1.CC(C)(C)c1cncs1.CC(C)(C)c1ncccc1Cl.CCCC1=CCc2cccc(C(C)(C)C)c21.CN(C)CC1=CCc2cccc(C(C)(C)C)c21.C[n+]1ccc(C(C)(C)C)c(F)c1.
What is the InChIKey of 2-tert-butylaniline;tert-butylbenzene;7-tert-butyl-3H-1-benzothiophen-2-one;1-tert-butyl-2-chlorobenzene;7-tert-butyl-6-chloro-3H-indole;2-tert-butyl-3-chloropyridine;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-3-fluoro-1H-indene;4-tert-butyl-3-fluoro-1-methylpyridin-1-ium;(5-tert-butylfuran-2-yl)methanol;4-tert-butyl-1H-indene;1-(7-tert-butyl-3H-inden-1-yl)-N,N-dimethylmethanamine;7-tert-butyl-3H-indole;4-tert-butyl-3-propyl-1H-indene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;5-tert-butyl-1,3-thiazole?
The InChIKey is BRIOSOHRNUGGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N.C16H22.C13H15F.C13H18.C13H16.C12H14ClN.C12H15N.C12H14OS.C10H13Cl.C10H15FN.C10H13F.C10H15N.C10H14.C9H12ClN.2C9H13N.C9H14O2.C8H13N3.C7H11NS/c1-16(2,3)14-8-6-7-12-9-10-13(15(12)14)11-17(4)5;1-5-7-12-10-11-13-8-6-9-14(15(12)13)16(2,3)4;1-13(2,3)10-6-4-5-9-7-8-11(14)12(9)10;2*1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-12(2,3)10-9(13)5-4-8-6-7-14-11(8)10;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)9-6-4-5-8-7-10(13)14-11(8)9;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-5-6-12(4)7-9(8)11;2*1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-5-4-7(6-10)11-8;1-8(2,3)6-4-5-10-7(9)11-6;1-7(2,3)6-4-8-5-9-6/h6-8,10H,9,11H2,1-5H3;6,8-10H,5,7,11H2,1-4H3;4-6,8H,7H2,1-3H3;5,7,9H,4,6,8H2,1-3H3;4-5,7-9H,6H2,1-3H3;4-5,7H,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-6H,7H2,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;4-7H,11H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-5,10H,6H2,1-3H3;4-5H,1-3H3,(H2,9,10,11);4-5H,1-3H3/q;;;;;;;;;+1;;;;;;;;;.
What are the key properties of 2-tert-butylaniline;tert-butylbenzene;7-tert-butyl-3H-1-benzothiophen-2-one;1-tert-butyl-2-chlorobenzene;7-tert-butyl-6-chloro-3H-indole;2-tert-butyl-3-chloropyridine;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-3-fluoro-1H-indene;4-tert-butyl-3-fluoro-1-methylpyridin-1-ium;(5-tert-butylfuran-2-yl)methanol;4-tert-butyl-1H-indene;1-(7-tert-butyl-3H-inden-1-yl)-N,N-dimethylmethanamine;7-tert-butyl-3H-indole;4-tert-butyl-3-propyl-1H-indene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;5-tert-butyl-1,3-thiazole?
2-tert-butylaniline;tert-butylbenzene;7-tert-butyl-3H-1-benzothiophen-2-one;1-tert-butyl-2-chlorobenzene;7-tert-butyl-6-chloro-3H-indole;2-tert-butyl-3-chloropyridine;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-3-fluoro-1H-indene;4-tert-butyl-3-fluoro-1-methylpyridin-1-ium;(5-tert-butylfuran-2-yl)methanol;4-tert-butyl-1H-indene;1-(7-tert-butyl-3H-inden-1-yl)-N,N-dimethylmethanamine;7-tert-butyl-3H-indole;4-tert-butyl-3-propyl-1H-indene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;5-tert-butyl-1,3-thiazole has a molecular weight of 3227.12 g/mol, XLogP of 57.30, 5 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylaniline;tert-butylbenzene;7-tert-butyl-3H-1-benzothiophen-2-one;1-tert-butyl-2-chlorobenzene;7-tert-butyl-6-chloro-3H-indole;2-tert-butyl-3-chloropyridine;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-3-fluoro-1H-indene;4-tert-butyl-3-fluoro-1-methylpyridin-1-ium;(5-tert-butylfuran-2-yl)methanol;4-tert-butyl-1H-indene;1-(7-tert-butyl-3H-inden-1-yl)-N,N-dimethylmethanamine;7-tert-butyl-3H-indole;4-tert-butyl-3-propyl-1H-indene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;5-tert-butyl-1,3-thiazole is sourced from PubChem (CID 157438093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).