bis(N-tert-butyl-3-(2,2-dimethylpropyl)aniline);bis(N-tert-butyl-4-(2,2-dimethylpropyl)aniline);N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]cyclopropan-1-amine;N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[(1S)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenyl]propan-2-yl]-2-methylpropan-2-amine;fluoromethane

C132H224F2N8 — CID 160672592

IUPACbis(N-tert-butyl-3-(2,2-dimethylpropyl)aniline);bis(N-tert-butyl-4-(2,2-dimethylpropyl)aniline);N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]cyclopropan-1-amine;N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[(1S)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenyl]propan-2-yl]-2-methylpropan-2-amine;fluoromethane
SMILESCC(C)(C)Cc1ccc(C(C)(C)NC(C)(C)C)cc1.CC(C)(C)Cc1ccc(C2(NC(C)(C)C)CC2)cc1.CC(C)(C)Cc1ccc(NC(C)(C)C)cc1.CC(C)(C)Cc1ccc(NC(C)(C)C)cc1.CC(C)(C)Cc1cccc(NC(C)(C)C)c1.CC(C)(C)Cc1cccc(NC(C)(C)C)c1.CF.CF.C[C@@H](NC(C)(C)C)c1ccc(CC(C)(C)C)cc1.C[C@H](NC(C)(C)C)c1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C18H29N.C18H31N.2C17H29N.4C15H25N.2CH3F/c1-16(2,3)13-14-7-9-15(10-8-14)18(11-12-18)19-17(4,5)6;1-16(2,3)13-14-9-11-15(12-10-14)18(7,8)19-17(4,5)6;2*1-13(18-17(5,6)7)15-10-8-14(9-11-15)12-16(2,3)4;2*1-14(2,3)11-12-7-9-13(10-8-12)16-15(4,5)6;2*1-14(2,3)11-12-8-7-9-13(10-12)16-15(4,5)6;2*1-2/h7-10,19H,11-13H2,1-6H3;9-12,19H,13H2,1-8H3;2*8-11,13,18H,12H2,1-7H3;4*7-10,16H,11H2,1-6H3;2*1H3/t;;2*13-;;;;;;/m..10....../s1
InChIKeyRNCVDQGBMZORTC-GUGPBKNUSA-N
MW1961.30 g/mol
LogP38.11
Rot. Bonds20

About bis(N-tert-butyl-3-(2,2-dimethylpropyl)aniline);bis(N-tert-butyl-4-(2,2-dimethylpropyl)aniline);N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]cyclopropan-1-amine;N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[(1S)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenyl]propan-2-yl]-2-methylpropan-2-amine;fluoromethane

bis(N-tert-butyl-3-(2,2-dimethylpropyl)aniline);bis(N-tert-butyl-4-(2,2-dimethylpropyl)aniline);N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]cyclopropan-1-amine;N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[(1S)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenyl]propan-2-yl]-2-methylpropan-2-amine;fluoromethane (PubChem CID 160672592) has the molecular formula C132H224F2N8 and a molecular weight of 1961.30 g/mol. Its IUPAC name is bis(N-tert-butyl-3-(2,2-dimethylpropyl)aniline);bis(N-tert-butyl-4-(2,2-dimethylpropyl)aniline);N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]cyclopropan-1-amine;N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[(1S)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenyl]propan-2-yl]-2-methylpropan-2-amine;fluoromethane.

Molecular Properties

Compound Namebis(N-tert-butyl-3-(2,2-dimethylpropyl)aniline);bis(N-tert-butyl-4-(2,2-dimethylpropyl)aniline);N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]cyclopropan-1-amine;N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[(1S)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenyl]propan-2-yl]-2-methylpropan-2-amine;fluoromethane
PubChem CID160672592
Molecular FormulaC132H224F2N8
Molecular Weight1961.30 g/mol
Exact Mass1959.77
IUPAC Namebis(N-tert-butyl-3-(2,2-dimethylpropyl)aniline);bis(N-tert-butyl-4-(2,2-dimethylpropyl)aniline);N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]cyclopropan-1-amine;N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[(1S)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenyl]propan-2-yl]-2-methylpropan-2-amine;fluoromethane
SMILESCC(C)(C)Cc1ccc(C(C)(C)NC(C)(C)C)cc1.CC(C)(C)Cc1ccc(C2(NC(C)(C)C)CC2)cc1.CC(C)(C)Cc1ccc(NC(C)(C)C)cc1.CC(C)(C)Cc1ccc(NC(C)(C)C)cc1.CC(C)(C)Cc1cccc(NC(C)(C)C)c1.CC(C)(C)Cc1cccc(NC(C)(C)C)c1.CF.CF.C[C@@H](NC(C)(C)C)c1ccc(CC(C)(C)C)cc1.C[C@H](NC(C)(C)C)c1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C18H29N.C18H31N.2C17H29N.4C15H25N.2CH3F/c1-16(2,3)13-14-7-9-15(10-8-14)18(11-12-18)19-17(4,5)6;1-16(2,3)13-14-9-11-15(12-10-14)18(7,8)19-17(4,5)6;2*1-13(18-17(5,6)7)15-10-8-14(9-11-15)12-16(2,3)4;2*1-14(2,3)11-12-7-9-13(10-8-12)16-15(4,5)6;2*1-14(2,3)11-12-8-7-9-13(10-12)16-15(4,5)6;2*1-2/h7-10,19H,11-13H2,1-6H3;9-12,19H,13H2,1-8H3;2*8-11,13,18H,12H2,1-7H3;4*7-10,16H,11H2,1-6H3;2*1H3/t;;2*13-;;;;;;/m..10....../s1
InChIKeyRNCVDQGBMZORTC-GUGPBKNUSA-N
XLogP38.11
TPSA96.24 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001961.30
LogP ≤ 538.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze bis(N-tert-butyl-3-(2,2-dimethylpropyl)aniline);bis(N-tert-butyl-4-(2,2-dimethylpropyl)aniline);N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]cyclopropan-1-amine;N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[(1S)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenyl]propan-2-yl]-2-methylpropan-2-amine;fluoromethane with MolForge

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Related Compounds

N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine
CID 158653973
N-tert-butyl-4-methylaniline;bis(N-tert-butyl-1-(4-methylphenyl)cyclopropan-1-amine);ethane;1-ethyl-4-propan-2-ylpiperazine;2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine
CID 167537302
N-tert-butyl-1-[3-(1-tert-butylcyclopropyl)phenyl]cyclopropan-1-amine
CID 130381547
1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine
CID 166062456
4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine
CID 22245212
N-[3-(cyclopropylmethyl)phenyl]-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanamide
CID 67957766
1-[3-(tert-butylamino)phenyl]ethanol
CID 12585902
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943
3-[4-(tert-butylamino)anilino]benzaldehyde
CID 168860115
N-[2-(4-chloro-3-methylphenyl)propan-2-yl]-3-ethylaniline
CID 123669594
N-tert-butyl-4-ethylaniline
CID 58745565
1-(4-fluorophenyl)-N-pentan-2-ylcyclopropan-1-amine
CID 115920209

Frequently Asked Questions

What is the IUPAC name of bis(N-tert-butyl-3-(2,2-dimethylpropyl)aniline);bis(N-tert-butyl-4-(2,2-dimethylpropyl)aniline);N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]cyclopropan-1-amine;N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[(1S)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenyl]propan-2-yl]-2-methylpropan-2-amine;fluoromethane?
The IUPAC name of bis(N-tert-butyl-3-(2,2-dimethylpropyl)aniline);bis(N-tert-butyl-4-(2,2-dimethylpropyl)aniline);N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]cyclopropan-1-amine;N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[(1S)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenyl]propan-2-yl]-2-methylpropan-2-amine;fluoromethane (CID 160672592) is bis(N-tert-butyl-3-(2,2-dimethylpropyl)aniline);bis(N-tert-butyl-4-(2,2-dimethylpropyl)aniline);N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]cyclopropan-1-amine;N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[(1S)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenyl]propan-2-yl]-2-methylpropan-2-amine;fluoromethane.
What is the SMILES notation for bis(N-tert-butyl-3-(2,2-dimethylpropyl)aniline);bis(N-tert-butyl-4-(2,2-dimethylpropyl)aniline);N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]cyclopropan-1-amine;N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[(1S)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenyl]propan-2-yl]-2-methylpropan-2-amine;fluoromethane?
The canonical SMILES for bis(N-tert-butyl-3-(2,2-dimethylpropyl)aniline);bis(N-tert-butyl-4-(2,2-dimethylpropyl)aniline);N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]cyclopropan-1-amine;N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[(1S)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenyl]propan-2-yl]-2-methylpropan-2-amine;fluoromethane is CC(C)(C)Cc1ccc(C(C)(C)NC(C)(C)C)cc1.CC(C)(C)Cc1ccc(C2(NC(C)(C)C)CC2)cc1.CC(C)(C)Cc1ccc(NC(C)(C)C)cc1.CC(C)(C)Cc1ccc(NC(C)(C)C)cc1.CC(C)(C)Cc1cccc(NC(C)(C)C)c1.CC(C)(C)Cc1cccc(NC(C)(C)C)c1.CF.CF.C[C@@H](NC(C)(C)C)c1ccc(CC(C)(C)C)cc1.C[C@H](NC(C)(C)C)c1ccc(CC(C)(C)C)cc1.
What is the InChIKey of bis(N-tert-butyl-3-(2,2-dimethylpropyl)aniline);bis(N-tert-butyl-4-(2,2-dimethylpropyl)aniline);N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]cyclopropan-1-amine;N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[(1S)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenyl]propan-2-yl]-2-methylpropan-2-amine;fluoromethane?
The InChIKey is RNCVDQGBMZORTC-GUGPBKNUSA-N. The full InChI is InChI=1S/C18H29N.C18H31N.2C17H29N.4C15H25N.2CH3F/c1-16(2,3)13-14-7-9-15(10-8-14)18(11-12-18)19-17(4,5)6;1-16(2,3)13-14-9-11-15(12-10-14)18(7,8)19-17(4,5)6;2*1-13(18-17(5,6)7)15-10-8-14(9-11-15)12-16(2,3)4;2*1-14(2,3)11-12-7-9-13(10-8-12)16-15(4,5)6;2*1-14(2,3)11-12-8-7-9-13(10-12)16-15(4,5)6;2*1-2/h7-10,19H,11-13H2,1-6H3;9-12,19H,13H2,1-8H3;2*8-11,13,18H,12H2,1-7H3;4*7-10,16H,11H2,1-6H3;2*1H3/t;;2*13-;;;;;;/m..10....../s1.
What are the key properties of bis(N-tert-butyl-3-(2,2-dimethylpropyl)aniline);bis(N-tert-butyl-4-(2,2-dimethylpropyl)aniline);N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]cyclopropan-1-amine;N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[(1S)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenyl]propan-2-yl]-2-methylpropan-2-amine;fluoromethane?
bis(N-tert-butyl-3-(2,2-dimethylpropyl)aniline);bis(N-tert-butyl-4-(2,2-dimethylpropyl)aniline);N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]cyclopropan-1-amine;N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[(1S)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenyl]propan-2-yl]-2-methylpropan-2-amine;fluoromethane has a molecular weight of 1961.30 g/mol, XLogP of 38.11, 20 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-tert-butyl-3-(2,2-dimethylpropyl)aniline);bis(N-tert-butyl-4-(2,2-dimethylpropyl)aniline);N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]cyclopropan-1-amine;N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[(1S)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenyl]propan-2-yl]-2-methylpropan-2-amine;fluoromethane is sourced from PubChem (CID 160672592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).