1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)methanamine

C18H19ClN2 — CID 110453486

IUPAC1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)methanamine
SMILESCc1ccc(C(c2c[nH]c3cccc(Cl)c23)N(C)C)cc1
InChIInChI=1S/C18H19ClN2/c1-12-7-9-13(10-8-12)18(21(2)3)14-11-20-16-6-4-5-15(19)17(14)16/h4-11,18,20H,1-3H3
InChIKeyNYGANAWVDHKXKS-UHFFFAOYSA-N
MW298.82 g/mol
LogP4.78
Rot. Bonds3

About 1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)methanamine

1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)methanamine (PubChem CID 110453486) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)methanamine
PubChem CID110453486
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)methanamine
SMILESCc1ccc(C(c2c[nH]c3cccc(Cl)c23)N(C)C)cc1
InChIInChI=1S/C18H19ClN2/c1-12-7-9-13(10-8-12)18(21(2)3)14-11-20-16-6-4-5-15(19)17(14)16/h4-11,18,20H,1-3H3
InChIKeyNYGANAWVDHKXKS-UHFFFAOYSA-N
XLogP4.78
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-4-ylmethanamine
CID 110453465
4-chloro-3-propan-2-yl-1H-indole
CID 129292866
(1S)-1-(4-chloro-1H-indol-3-yl)propan-1-amine
CID 82758826
3-chloro-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-N-methylbenzamide
CID 35182064
(3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088531
4-chloro-3-[(1S)-1-phenylprop-2-enyl]-1H-indole
CID 134968895
(1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol
CID 72707576
N,N-dimethyl-1-(4-methylphenyl)-1-phenylmethanamine
CID 102196523
4-(4-chloro-1H-indol-3-yl)pentanoic acid
CID 115420859
(2S,3S)-2,3-diamino-3-(4-chloro-1H-indol-3-yl)propanoic acid
CID 174256823
3-(4-chloro-1H-indol-3-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 58088510
2-(4-chloro-1H-indol-3-yl)butanedioic acid
CID 23513553

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)methanamine?
The IUPAC name of 1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)methanamine (CID 110453486) is 1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for 1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for 1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)methanamine is Cc1ccc(C(c2c[nH]c3cccc(Cl)c23)N(C)C)cc1.
What is the InChIKey of 1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)methanamine?
The InChIKey is NYGANAWVDHKXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-12-7-9-13(10-8-12)18(21(2)3)14-11-20-16-6-4-5-15(19)17(14)16/h4-11,18,20H,1-3H3.
What are the key properties of 1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)methanamine?
1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)methanamine has a molecular weight of 298.82 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 110453486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).