2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine

C17H17ClN2 — CID 53274413

IUPAC2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
SMILESClc1cccc(CCNCc2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C17H17ClN2/c18-16-3-1-2-13(10-16)6-8-19-12-14-4-5-15-7-9-20-17(15)11-14/h1-5,7,9-11,19-20H,6,8,12H2
InChIKeyQHYVFRWURFXDDH-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.15
Rot. Bonds5

About 2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine

2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine (PubChem CID 53274413) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
PubChem CID53274413
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
SMILESClc1cccc(CCNCc2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C17H17ClN2/c18-16-3-1-2-13(10-16)6-8-19-12-14-4-5-15-7-9-20-17(15)11-14/h1-5,7,9-11,19-20H,6,8,12H2
InChIKeyQHYVFRWURFXDDH-UHFFFAOYSA-N
XLogP4.15
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indol-6-ylmethyl)-2-pyridin-3-ylethanamine
CID 102909982
N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 53274315
N-benzyl-2-(3-chlorophenyl)ethanamine
CID 39349071
N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 11958390
N-(1H-indol-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 102911084
3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide
CID 169029479
N-(1H-indol-6-ylmethyl)butan-1-amine
CID 63749151
N-(1H-indol-6-ylmethyl)-2-phenylsulfanylethanamine
CID 102910230
2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 106168823
1-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)propan-1-amine
CID 102909523
N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315704
2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 102911508

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine (CID 53274413) is 2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine is Clc1cccc(CCNCc2ccc3cc[nH]c3c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine?
The InChIKey is QHYVFRWURFXDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c18-16-3-1-2-13(10-16)6-8-19-12-14-4-5-15-7-9-20-17(15)11-14/h1-5,7,9-11,19-20H,6,8,12H2.
What are the key properties of 2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine?
2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine has a molecular weight of 284.79 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine is sourced from PubChem (CID 53274413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).