1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine

C17H17ClN2 — CID 60664434

IUPAC1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine
SMILESCC(NCc1c[nH]c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2/c1-12(13-5-4-6-15(18)9-13)19-10-14-11-20-17-8-3-2-7-16(14)17/h2-9,11-12,19-20H,10H2,1H3
InChIKeyZHJDPPBEKRQCBS-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.67
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine

1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine (PubChem CID 60664434) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine
PubChem CID60664434
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine
SMILESCC(NCc1c[nH]c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2/c1-12(13-5-4-6-15(18)9-13)19-10-14-11-20-17-8-3-2-7-16(14)17/h2-9,11-12,19-20H,10H2,1H3
InChIKeyZHJDPPBEKRQCBS-UHFFFAOYSA-N
XLogP4.67
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406304
(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 81407385
1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 43178091
1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol
CID 11324939
(1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 29276650
(1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)ethanamine
CID 81365962
N-[1-(3-chlorophenyl)propyl]-2-(1H-indol-3-yl)acetamide
CID 46463279
(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol
CID 114985544
N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine
CID 78968571
(1S)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104979988
N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 114841425
(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine
CID 92864086

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine (CID 60664434) is 1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine is CC(NCc1c[nH]c2ccccc12)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine?
The InChIKey is ZHJDPPBEKRQCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-12(13-5-4-6-15(18)9-13)19-10-14-11-20-17-8-3-2-7-16(14)17/h2-9,11-12,19-20H,10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine?
1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine has a molecular weight of 284.79 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine is sourced from PubChem (CID 60664434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).