2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine

C18H20N2 — CID 22419950

IUPAC2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(CCc3ccccc3)cc12
InChIInChI=1S/C18H20N2/c19-11-10-16-13-20-18-9-8-15(12-17(16)18)7-6-14-4-2-1-3-5-14/h1-5,8-9,12-13,20H,6-7,10-11,19H2
InChIKeyVDHLHPYRKQRIOW-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.45
Rot. Bonds5

About 2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine

2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine (PubChem CID 22419950) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
PubChem CID22419950
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(CCc3ccccc3)cc12
InChIInChI=1S/C18H20N2/c19-11-10-16-13-20-18-9-8-15(12-17(16)18)7-6-14-4-2-1-3-5-14/h1-5,8-9,12-13,20H,6-7,10-11,19H2
InChIKeyVDHLHPYRKQRIOW-UHFFFAOYSA-N
XLogP3.45
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride
CID 13286067
1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidin-2-one
CID 19752560
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzylimidazolidine-2,4-dione
CID 67855202
2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine
CID 11358502
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
5-[5-[2-(benzenesulfonyl)ethyl]-1H-indol-3-yl]pentan-1-amine
CID 143126047
3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid
CID 67100143
2-[2-[4-[3-(2-aminoethyl)-1H-indol-5-yl]butoxy]ethoxy]ethanethiol
CID 142098472
4-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-5-methylimidazolidin-2-one
CID 56989453
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905
3-benzyl-5-(5-fluoro-1H-indol-3-yl)pentan-1-amine
CID 67394553

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine (CID 22419950) is 2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine is NCCc1c[nH]c2ccc(CCc3ccccc3)cc12.
What is the InChIKey of 2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine?
The InChIKey is VDHLHPYRKQRIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c19-11-10-16-13-20-18-9-8-15(12-17(16)18)7-6-14-4-2-1-3-5-14/h1-5,8-9,12-13,20H,6-7,10-11,19H2.
What are the key properties of 2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine?
2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine has a molecular weight of 264.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 22419950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).