2-(1H-indol-3-yl)-N-phenylmethoxyethanamine;hydrochloride

C17H19ClN2O — CID 158104456

IUPAC2-(1H-indol-3-yl)-N-phenylmethoxyethanamine;hydrochloride
SMILESCl.c1ccc(CONCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H18N2O.ClH/c1-2-6-14(7-3-1)13-20-19-11-10-15-12-18-17-9-5-4-8-16(15)17;/h1-9,12,18-19H,10-11,13H2;1H
InChIKeyFPQYUUYDXPAXGU-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.85
Rot. Bonds6

About 2-(1H-indol-3-yl)-N-phenylmethoxyethanamine;hydrochloride

2-(1H-indol-3-yl)-N-phenylmethoxyethanamine;hydrochloride (PubChem CID 158104456) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-phenylmethoxyethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-phenylmethoxyethanamine;hydrochloride
PubChem CID158104456
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-(1H-indol-3-yl)-N-phenylmethoxyethanamine;hydrochloride
SMILESCl.c1ccc(CONCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H18N2O.ClH/c1-2-6-14(7-3-1)13-20-19-11-10-15-12-18-17-9-5-4-8-16(15)17;/h1-9,12,18-19H,10-11,13H2;1H
InChIKeyFPQYUUYDXPAXGU-UHFFFAOYSA-N
XLogP3.85
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295021
2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
CID 102603627
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
[2-(1H-indol-3-yl)ethylamino] acetate
CID 19864349
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 17295450
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(4-phenylmethoxybutyl)guanidine
CID 110996281
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
2-(1H-indol-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17294634
N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine
CID 167072734
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
N-benzhydryl-2-(1H-indol-3-yl)ethanamine
CID 101231581
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-phenylmethoxyethanamine;hydrochloride?
The IUPAC name of 2-(1H-indol-3-yl)-N-phenylmethoxyethanamine;hydrochloride (CID 158104456) is 2-(1H-indol-3-yl)-N-phenylmethoxyethanamine;hydrochloride.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-phenylmethoxyethanamine;hydrochloride?
The canonical SMILES for 2-(1H-indol-3-yl)-N-phenylmethoxyethanamine;hydrochloride is Cl.c1ccc(CONCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-phenylmethoxyethanamine;hydrochloride?
The InChIKey is FPQYUUYDXPAXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O.ClH/c1-2-6-14(7-3-1)13-20-19-11-10-15-12-18-17-9-5-4-8-16(15)17;/h1-9,12,18-19H,10-11,13H2;1H.
What are the key properties of 2-(1H-indol-3-yl)-N-phenylmethoxyethanamine;hydrochloride?
2-(1H-indol-3-yl)-N-phenylmethoxyethanamine;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-phenylmethoxyethanamine;hydrochloride is sourced from PubChem (CID 158104456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).