(1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-3-ylethanamine

C16H16ClN3 — CID 81407475

IUPAC(1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-3-ylethanamine
SMILESC[C@H](NCc1[nH]c2ccccc2c1Cl)c1cccnc1
InChIInChI=1S/C16H16ClN3/c1-11(12-5-4-8-18-9-12)19-10-15-16(17)13-6-2-3-7-14(13)20-15/h2-9,11,19-20H,10H2,1H3/t11-/m0/s1
InChIKeyOUZFOGWGNOMLGC-NSHDSACASA-N
MW285.78 g/mol
LogP4.07
Rot. Bonds4

About (1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-3-ylethanamine

(1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 81407475) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is (1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-3-ylethanamine
PubChem CID81407475
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name(1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-3-ylethanamine
SMILESC[C@H](NCc1[nH]c2ccccc2c1Cl)c1cccnc1
InChIInChI=1S/C16H16ClN3/c1-11(12-5-4-8-18-9-12)19-10-15-16(17)13-6-2-3-7-14(13)20-15/h2-9,11,19-20H,10H2,1H3/t11-/m0/s1
InChIKeyOUZFOGWGNOMLGC-NSHDSACASA-N
XLogP4.07
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81346935
(1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401552
(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 81407385
(1S)-1-(2-bromophenyl)-N-[(3-chloro-1H-indol-2-yl)methyl]ethanamine
CID 81378563
(1R)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 78978147
(1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 28655829
N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 112651837
N-(pyrazin-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62762497
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
(1R)-N-(1-benzofuran-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 81404411
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 81406474
(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951148

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-3-ylethanamine (CID 81407475) is (1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-3-ylethanamine is C[C@H](NCc1[nH]c2ccccc2c1Cl)c1cccnc1.
What is the InChIKey of (1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is OUZFOGWGNOMLGC-NSHDSACASA-N. The full InChI is InChI=1S/C16H16ClN3/c1-11(12-5-4-8-18-9-12)19-10-15-16(17)13-6-2-3-7-14(13)20-15/h2-9,11,19-20H,10H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-3-ylethanamine?
(1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-3-ylethanamine has a molecular weight of 285.78 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 81407475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).