4-chloro-2-methylaniline;2,4-dimethylaniline;2,4-dimethyl-5-(3-methylphenyl)-1,3-thiazole;5-(3,4-dimethylphenyl)-2,4-dimethyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;heptakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2,4,5-trimethylaniline

C105H141ClF2N26O3S3 — CID 159439715

IUPAC4-chloro-2-methylaniline;2,4-dimethylaniline;2,4-dimethyl-5-(3-methylphenyl)-1,3-thiazole;5-(3,4-dimethylphenyl)-2,4-dimethyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;heptakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2,4,5-trimethylaniline
SMILESCOc1ccc(-c2sc(C)nc2C)cn1.COc1ccc(N)c(C)c1.COc1ccc(N)c(C)c1F.Cc1cc(C)c(N)cc1C.Cc1cc(Cl)ccc1N.Cc1ccc(N)c(C)c1.Cc1ccc(N)c(C)c1F.Cc1ccc(N)c(C)n1.Cc1cccc(-c2sc(C)nc2C)c1.Cc1nc(C)c(-c2ccc(C)c(C)c2)s1.[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H]
InChIInChI=1S/C13H15NS.C12H13NS.C11H12N2OS.C9H13N.C8H10FNO.C8H10FN.C8H11NO.C8H11N.C7H8ClN.C7H10N2.7C2H4N2/c1-8-5-6-12(7-9(8)2)13-10(3)14-11(4)15-13;1-8-5-4-6-11(7-8)12-9(2)13-10(3)14-12;1-7-11(15-8(2)13-7)9-4-5-10(14-3)12-6-9;1-6-4-8(3)9(10)5-7(6)2;1-5-6(10)3-4-7(11-2)8(5)9;1-5-3-4-7(10)6(2)8(5)9;1-6-5-7(10-2)3-4-8(6)9;1-6-3-4-8(9)7(2)5-6;1-5-4-6(8)2-3-7(5)9;1-5-3-4-7(8)6(2)9-5;7*3-1-2-4/h5-7H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-5H,10H2,1-3H3;3-4H,10H2,1-2H3;3-4H,10H2,1-2H3;3-5H,9H2,1-2H3;3-5H,9H2,1-2H3;2-4H,9H2,1H3;3-4H,8H2,1-2H3;7*1-4H/b;;;;;;;;;;7*3-1+,4-2+
InChIKeyLSACBRKYKOLNBH-QMKIWRIASA-N
MW1985.11 g/mol
LogP25.53
Rot. Bonds13

About 4-chloro-2-methylaniline;2,4-dimethylaniline;2,4-dimethyl-5-(3-methylphenyl)-1,3-thiazole;5-(3,4-dimethylphenyl)-2,4-dimethyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;heptakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2,4,5-trimethylaniline

4-chloro-2-methylaniline;2,4-dimethylaniline;2,4-dimethyl-5-(3-methylphenyl)-1,3-thiazole;5-(3,4-dimethylphenyl)-2,4-dimethyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;heptakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2,4,5-trimethylaniline (PubChem CID 159439715) has the molecular formula C105H141ClF2N26O3S3 and a molecular weight of 1985.11 g/mol. Its IUPAC name is 4-chloro-2-methylaniline;2,4-dimethylaniline;2,4-dimethyl-5-(3-methylphenyl)-1,3-thiazole;5-(3,4-dimethylphenyl)-2,4-dimethyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;heptakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2,4,5-trimethylaniline.

Molecular Properties

Compound Name4-chloro-2-methylaniline;2,4-dimethylaniline;2,4-dimethyl-5-(3-methylphenyl)-1,3-thiazole;5-(3,4-dimethylphenyl)-2,4-dimethyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;heptakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2,4,5-trimethylaniline
PubChem CID159439715
Molecular FormulaC105H141ClF2N26O3S3
Molecular Weight1985.11 g/mol
Exact Mass1983.05
IUPAC Name4-chloro-2-methylaniline;2,4-dimethylaniline;2,4-dimethyl-5-(3-methylphenyl)-1,3-thiazole;5-(3,4-dimethylphenyl)-2,4-dimethyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;heptakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2,4,5-trimethylaniline
SMILESCOc1ccc(-c2sc(C)nc2C)cn1.COc1ccc(N)c(C)c1.COc1ccc(N)c(C)c1F.Cc1cc(C)c(N)cc1C.Cc1cc(Cl)ccc1N.Cc1ccc(N)c(C)c1.Cc1ccc(N)c(C)c1F.Cc1ccc(N)c(C)n1.Cc1cccc(-c2sc(C)nc2C)c1.Cc1nc(C)c(-c2ccc(C)c(C)c2)s1.[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H]
InChIInChI=1S/C13H15NS.C12H13NS.C11H12N2OS.C9H13N.C8H10FNO.C8H10FN.C8H11NO.C8H11N.C7H8ClN.C7H10N2.7C2H4N2/c1-8-5-6-12(7-9(8)2)13-10(3)14-11(4)15-13;1-8-5-4-6-11(7-8)12-9(2)13-10(3)14-12;1-7-11(15-8(2)13-7)9-4-5-10(14-3)12-6-9;1-6-4-8(3)9(10)5-7(6)2;1-5-6(10)3-4-7(11-2)8(5)9;1-5-3-4-7(10)6(2)8(5)9;1-6-5-7(10-2)3-4-8(6)9;1-6-3-4-8(9)7(2)5-6;1-5-4-6(8)2-3-7(5)9;1-5-3-4-7(8)6(2)9-5;7*3-1-2-4/h5-7H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-5H,10H2,1-3H3;3-4H,10H2,1-2H3;3-4H,10H2,1-2H3;3-5H,9H2,1-2H3;3-5H,9H2,1-2H3;2-4H,9H2,1H3;3-4H,8H2,1-2H3;7*1-4H/b;;;;;;;;;;7*3-1+,4-2+
InChIKeyLSACBRKYKOLNBH-QMKIWRIASA-N
XLogP25.53
TPSA608.18 Ų
H-Bond Donors21
H-Bond Acceptors32
Rotatable Bonds13
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001985.11
LogP ≤ 525.53
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-chloro-2-methylaniline;2,4-dimethylaniline;2,4-dimethyl-5-(3-methylphenyl)-1,3-thiazole;5-(3,4-dimethylphenyl)-2,4-dimethyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;heptakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2,4,5-trimethylaniline with MolForge

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Related Compounds

2,5-Bis(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chloro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;ethane-1,2-diimine;2-(2-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(3-isocyanophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;4-(3-isocyanophenyl)-2-methylaniline;3-(3-methyl-4-phenylphenyl)pyridine
CID 158971140
N,N-bis(4-methylphenyl)-4-phenyl-2-pyridin-2-yl-1,3-thiazol-5-amine;2-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-5-amine;2-(4-chlorophenyl)-N,N,4-triphenyl-1,3-thiazol-5-amine;N,N,4-triphenyl-2-pyridin-2-yl-1,3-thiazol-5-amine
CID 160403335
4-Chloro-2-methylaniline;5-(3-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(4-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(3,5-difluorophenyl)-2,4-dimethyl-1,3-thiazole;2,4-dimethylaniline;2,5-dimethylaniline;3-(2,4-dimethylphenyl)iminoprop-1-en-1-amine;2,4-dimethyl-5-phenyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;nonakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;5-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2-methylaniline;1-methyl-2-(4-methylphenyl)benzene;2,4,5-trimethylaniline
CID 161901094
2,5-Bis(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chloro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;ethane-1,2-diimine;2-(2-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(3-isocyanophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;4-(3-isocyanophenyl)-2-methylaniline;3-(3-methyl-4-phenylphenyl)pyridine
CID 162095056
4-chloro-2-methylaniline;5-(3-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(4-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(3,5-difluorophenyl)-2,4-dimethyl-1,3-thiazole;2,4-dimethylaniline;2,5-dimethylaniline;2,4-dimethyl-5-phenyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;nonakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;5-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole;N-[(Z)-2-iminoethylideneamino]-2,4-dimethylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2-methylaniline;1-methyl-2-(4-methylphenyl)benzene;2,4,5-trimethylaniline
CID 172942159

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylaniline;2,4-dimethylaniline;2,4-dimethyl-5-(3-methylphenyl)-1,3-thiazole;5-(3,4-dimethylphenyl)-2,4-dimethyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;heptakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2,4,5-trimethylaniline?
The IUPAC name of 4-chloro-2-methylaniline;2,4-dimethylaniline;2,4-dimethyl-5-(3-methylphenyl)-1,3-thiazole;5-(3,4-dimethylphenyl)-2,4-dimethyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;heptakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2,4,5-trimethylaniline (CID 159439715) is 4-chloro-2-methylaniline;2,4-dimethylaniline;2,4-dimethyl-5-(3-methylphenyl)-1,3-thiazole;5-(3,4-dimethylphenyl)-2,4-dimethyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;heptakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2,4,5-trimethylaniline.
What is the SMILES notation for 4-chloro-2-methylaniline;2,4-dimethylaniline;2,4-dimethyl-5-(3-methylphenyl)-1,3-thiazole;5-(3,4-dimethylphenyl)-2,4-dimethyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;heptakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2,4,5-trimethylaniline?
The canonical SMILES for 4-chloro-2-methylaniline;2,4-dimethylaniline;2,4-dimethyl-5-(3-methylphenyl)-1,3-thiazole;5-(3,4-dimethylphenyl)-2,4-dimethyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;heptakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2,4,5-trimethylaniline is COc1ccc(-c2sc(C)nc2C)cn1.COc1ccc(N)c(C)c1.COc1ccc(N)c(C)c1F.Cc1cc(C)c(N)cc1C.Cc1cc(Cl)ccc1N.Cc1ccc(N)c(C)c1.Cc1ccc(N)c(C)c1F.Cc1ccc(N)c(C)n1.Cc1cccc(-c2sc(C)nc2C)c1.Cc1nc(C)c(-c2ccc(C)c(C)c2)s1.[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].
What is the InChIKey of 4-chloro-2-methylaniline;2,4-dimethylaniline;2,4-dimethyl-5-(3-methylphenyl)-1,3-thiazole;5-(3,4-dimethylphenyl)-2,4-dimethyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;heptakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2,4,5-trimethylaniline?
The InChIKey is LSACBRKYKOLNBH-QMKIWRIASA-N. The full InChI is InChI=1S/C13H15NS.C12H13NS.C11H12N2OS.C9H13N.C8H10FNO.C8H10FN.C8H11NO.C8H11N.C7H8ClN.C7H10N2.7C2H4N2/c1-8-5-6-12(7-9(8)2)13-10(3)14-11(4)15-13;1-8-5-4-6-11(7-8)12-9(2)13-10(3)14-12;1-7-11(15-8(2)13-7)9-4-5-10(14-3)12-6-9;1-6-4-8(3)9(10)5-7(6)2;1-5-6(10)3-4-7(11-2)8(5)9;1-5-3-4-7(10)6(2)8(5)9;1-6-5-7(10-2)3-4-8(6)9;1-6-3-4-8(9)7(2)5-6;1-5-4-6(8)2-3-7(5)9;1-5-3-4-7(8)6(2)9-5;7*3-1-2-4/h5-7H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-5H,10H2,1-3H3;3-4H,10H2,1-2H3;3-4H,10H2,1-2H3;3-5H,9H2,1-2H3;3-5H,9H2,1-2H3;2-4H,9H2,1H3;3-4H,8H2,1-2H3;7*1-4H/b;;;;;;;;;;7*3-1+,4-2+.
What are the key properties of 4-chloro-2-methylaniline;2,4-dimethylaniline;2,4-dimethyl-5-(3-methylphenyl)-1,3-thiazole;5-(3,4-dimethylphenyl)-2,4-dimethyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;heptakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2,4,5-trimethylaniline?
4-chloro-2-methylaniline;2,4-dimethylaniline;2,4-dimethyl-5-(3-methylphenyl)-1,3-thiazole;5-(3,4-dimethylphenyl)-2,4-dimethyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;heptakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2,4,5-trimethylaniline has a molecular weight of 1985.11 g/mol, XLogP of 25.53, 13 rotatable bonds, 21 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylaniline;2,4-dimethylaniline;2,4-dimethyl-5-(3-methylphenyl)-1,3-thiazole;5-(3,4-dimethylphenyl)-2,4-dimethyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;heptakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2,4,5-trimethylaniline is sourced from PubChem (CID 159439715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).