2-(1H-indol-3-yl)-2-phenylethanamine

C16H16N2 — CID 609935

IUPAC2-(1H-indol-3-yl)-2-phenylethanamine
SMILESNCC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H16N2/c17-10-14(12-6-2-1-3-7-12)15-11-18-16-9-5-4-8-13(15)16/h1-9,11,14,18H,10,17H2
InChIKeyHEBVBIGUNHPPLF-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.26
Rot. Bonds3

About 2-(1H-indol-3-yl)-2-phenylethanamine

2-(1H-indol-3-yl)-2-phenylethanamine (PubChem CID 609935) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2-phenylethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2-phenylethanamine
PubChem CID609935
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-(1H-indol-3-yl)-2-phenylethanamine
SMILESNCC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H16N2/c17-10-14(12-6-2-1-3-7-12)15-11-18-16-9-5-4-8-13(15)16/h1-9,11,14,18H,10,17H2
InChIKeyHEBVBIGUNHPPLF-UHFFFAOYSA-N
XLogP3.26
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluorophenyl)-2-(1H-indol-3-yl)ethanamine
CID 82021241
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
3-(2-nitro-1-phenylethyl)-1H-indole
CID 2740778
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
[(2R)-2-hydroxy-2-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 2102096
[(2S)-2-hydroxy-2-phenylethyl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 2102100
1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2,5-dione
CID 13202935
N-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine
CID 55346930
(1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol
CID 15981834
3-amino-1-(1H-indol-3-yl)propan-1-ol
CID 82281300
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318
3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid
CID 3550541

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2-phenylethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-2-phenylethanamine (CID 609935) is 2-(1H-indol-3-yl)-2-phenylethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-2-phenylethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-2-phenylethanamine is NCC(c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-2-phenylethanamine?
The InChIKey is HEBVBIGUNHPPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c17-10-14(12-6-2-1-3-7-12)15-11-18-16-9-5-4-8-13(15)16/h1-9,11,14,18H,10,17H2.
What are the key properties of 2-(1H-indol-3-yl)-2-phenylethanamine?
2-(1H-indol-3-yl)-2-phenylethanamine has a molecular weight of 236.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2-phenylethanamine is sourced from PubChem (CID 609935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).