2-[3-(1H-indol-2-yl)phenyl]-N-methylethanamine

C17H18N2 — CID 54001818

IUPAC2-[3-(1H-indol-2-yl)phenyl]-N-methylethanamine
SMILESCNCCc1cccc(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C17H18N2/c1-18-10-9-13-5-4-7-14(11-13)17-12-15-6-2-3-8-16(15)19-17/h2-8,11-12,18-19H,9-10H2,1H3
InChIKeyKMDOOBKNCRJMFB-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.60
Rot. Bonds4

About 2-[3-(1H-indol-2-yl)phenyl]-N-methylethanamine

2-[3-(1H-indol-2-yl)phenyl]-N-methylethanamine (PubChem CID 54001818) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[3-(1H-indol-2-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(1H-indol-2-yl)phenyl]-N-methylethanamine
PubChem CID54001818
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name2-[3-(1H-indol-2-yl)phenyl]-N-methylethanamine
SMILESCNCCc1cccc(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C17H18N2/c1-18-10-9-13-5-4-7-14(11-13)17-12-15-6-2-3-8-16(15)19-17/h2-8,11-12,18-19H,9-10H2,1H3
InChIKeyKMDOOBKNCRJMFB-UHFFFAOYSA-N
XLogP3.60
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-indol-2-yl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[3-(1H-indol-2-yl)phenyl]-N-methylethanamine (CID 54001818) is 2-[3-(1H-indol-2-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[3-(1H-indol-2-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[3-(1H-indol-2-yl)phenyl]-N-methylethanamine is CNCCc1cccc(-c2cc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[3-(1H-indol-2-yl)phenyl]-N-methylethanamine?
The InChIKey is KMDOOBKNCRJMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-18-10-9-13-5-4-7-14(11-13)17-12-15-6-2-3-8-16(15)19-17/h2-8,11-12,18-19H,9-10H2,1H3.
What are the key properties of 2-[3-(1H-indol-2-yl)phenyl]-N-methylethanamine?
2-[3-(1H-indol-2-yl)phenyl]-N-methylethanamine has a molecular weight of 250.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-indol-2-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 54001818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).