2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethanamine

C17H18N2O — CID 3124849

IUPAC2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H18N2O/c1-20-13-8-6-12(7-9-13)15(10-18)16-11-19-17-5-3-2-4-14(16)17/h2-9,11,15,19H,10,18H2,1H3
InChIKeyIUZLJHFEVNYLAW-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.27
Rot. Bonds4

About 2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethanamine

2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 3124849) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethanamine
PubChem CID3124849
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H18N2O/c1-20-13-8-6-12(7-9-13)15(10-18)16-11-19-17-5-3-2-4-14(16)17/h2-9,11,15,19H,10,18H2,1H3
InChIKeyIUZLJHFEVNYLAW-UHFFFAOYSA-N
XLogP3.27
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethanamine (CID 3124849) is 2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethanamine is COc1ccc(C(CN)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is IUZLJHFEVNYLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-20-13-8-6-12(7-9-13)15(10-18)16-11-19-17-5-3-2-4-14(16)17/h2-9,11,15,19H,10,18H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethanamine?
2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethanamine has a molecular weight of 266.34 g/mol, XLogP of 3.27, 4 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)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 3124849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).