1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-4-ylmethanamine

C16H16ClN3 — CID 110453465

IUPAC1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-4-ylmethanamine
SMILESCN(C)C(c1ccncc1)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C16H16ClN3/c1-20(2)16(11-6-8-18-9-7-11)12-10-19-14-5-3-4-13(17)15(12)14/h3-10,16,19H,1-2H3
InChIKeySOZNYCZLNFKNQD-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.87
Rot. Bonds3

About 1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-4-ylmethanamine

1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-4-ylmethanamine (PubChem CID 110453465) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-4-ylmethanamine
PubChem CID110453465
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-4-ylmethanamine
SMILESCN(C)C(c1ccncc1)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C16H16ClN3/c1-20(2)16(11-6-8-18-9-7-11)12-10-19-14-5-3-4-13(17)15(12)14/h3-10,16,19H,1-2H3
InChIKeySOZNYCZLNFKNQD-UHFFFAOYSA-N
XLogP3.87
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)methanamine
CID 110453486
4-chloro-3-propan-2-yl-1H-indole
CID 129292866
(1S)-1-(4-chloro-1H-indol-3-yl)propan-1-amine
CID 82758826
(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
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
4-[dimethylamino(pyridin-4-yl)methyl]aniline
CID 116907052
1-(2-chloro-6-fluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine
CID 110453661

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-4-ylmethanamine?
The IUPAC name of 1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-4-ylmethanamine (CID 110453465) is 1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-4-ylmethanamine.
What is the SMILES notation for 1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-4-ylmethanamine?
The canonical SMILES for 1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-4-ylmethanamine is CN(C)C(c1ccncc1)c1c[nH]c2cccc(Cl)c12.
What is the InChIKey of 1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-4-ylmethanamine?
The InChIKey is SOZNYCZLNFKNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-20(2)16(11-6-8-18-9-7-11)12-10-19-14-5-3-4-13(17)15(12)14/h3-10,16,19H,1-2H3.
What are the key properties of 1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-4-ylmethanamine?
1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-4-ylmethanamine has a molecular weight of 285.78 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 110453465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).