N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride

C17H19ClN2 — CID 46736403

IUPACN-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
SMILESCl.c1ccc(CCNCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H18N2.ClH/c1-2-6-14(7-3-1)10-11-18-12-15-13-19-17-9-5-4-8-16(15)17;/h1-9,13,18-19H,10-12H2;1H
InChIKeyVAZXFDXPBDVRHV-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.92
Rot. Bonds5

About N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride

N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride (PubChem CID 46736403) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
PubChem CID46736403
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC NameN-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
SMILESCl.c1ccc(CCNCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H18N2.ClH/c1-2-6-14(7-3-1)10-11-18-12-15-13-19-17-9-5-4-8-16(15)17;/h1-9,13,18-19H,10-12H2;1H
InChIKeyVAZXFDXPBDVRHV-UHFFFAOYSA-N
XLogP3.92
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.92
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-3-ylmethyl)-2-pyridin-4-ylethanamine
CID 62324302
2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid
CID 126477748
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine
CID 25219438
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine
CID 115215625
N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine
CID 60663580
2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885
2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride
CID 171155113
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
(1H-indol-3-ylmethylamino)methanol
CID 115228988
2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66407834

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride?
The IUPAC name of N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride (CID 46736403) is N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride is Cl.c1ccc(CCNCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride?
The InChIKey is VAZXFDXPBDVRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2.ClH/c1-2-6-14(7-3-1)10-11-18-12-15-13-19-17-9-5-4-8-16(15)17;/h1-9,13,18-19H,10-12H2;1H.
What are the key properties of N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride?
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride is sourced from PubChem (CID 46736403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).