2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride

C20H22ClN3 — CID 171155113

IUPAC2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride
SMILESCl.Cn1cc(CNCCc2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C20H21N3.ClH/c1-23-14-16(18-7-3-5-9-20(18)23)12-21-11-10-15-13-22-19-8-4-2-6-17(15)19;/h2-9,13-14,21-22H,10-12H2,1H3;1H
InChIKeyVRQPATIDEOSOJR-UHFFFAOYSA-N
MW339.87 g/mol
LogP4.41
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride

2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride (PubChem CID 171155113) has the molecular formula C20H22ClN3 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride
PubChem CID171155113
Molecular FormulaC20H22ClN3
Molecular Weight339.87 g/mol
Exact Mass339.15
IUPAC Name2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride
SMILESCl.Cn1cc(CNCCc2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C20H21N3.ClH/c1-23-14-16(18-7-3-5-9-20(18)23)12-21-11-10-15-13-22-19-8-4-2-6-17(15)19;/h2-9,13-14,21-22H,10-12H2,1H3;1H
InChIKeyVRQPATIDEOSOJR-UHFFFAOYSA-N
XLogP4.41
TPSA32.75 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64828771
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 124895316
N-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 124783349
2-[2-(1-methylindol-3-yl)ethylamino]ethanethiol
CID 115224231
N-[(2-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 6458900
(2S)-3-(1H-indol-3-yl)-2-[(1-methylindol-3-yl)methylamino]propanoic acid
CID 124815638
2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66407834
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 107235485
2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 2248968

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride (CID 171155113) is 2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride is Cl.Cn1cc(CNCCc2c[nH]c3ccccc23)c2ccccc21.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride?
The InChIKey is VRQPATIDEOSOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3.ClH/c1-23-14-16(18-7-3-5-9-20(18)23)12-21-11-10-15-13-22-19-8-4-2-6-17(15)19;/h2-9,13-14,21-22H,10-12H2,1H3;1H.
What are the key properties of 2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride?
2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 4.41, 5 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-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 171155113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).