2-[3-(1-methylindol-3-yl)phenyl]ethanamine

C17H18N2 — CID 82039841

IUPAC2-[3-(1-methylindol-3-yl)phenyl]ethanamine
SMILESCn1cc(-c2cccc(CCN)c2)c2ccccc21
InChIInChI=1S/C17H18N2/c1-19-12-16(15-7-2-3-8-17(15)19)14-6-4-5-13(11-14)9-10-18/h2-8,11-12H,9-10,18H2,1H3
InChIKeyKKCOHVKYLXIZCX-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.35
Rot. Bonds3

About 2-[3-(1-methylindol-3-yl)phenyl]ethanamine

2-[3-(1-methylindol-3-yl)phenyl]ethanamine (PubChem CID 82039841) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[3-(1-methylindol-3-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(1-methylindol-3-yl)phenyl]ethanamine
PubChem CID82039841
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name2-[3-(1-methylindol-3-yl)phenyl]ethanamine
SMILESCn1cc(-c2cccc(CCN)c2)c2ccccc21
InChIInChI=1S/C17H18N2/c1-19-12-16(15-7-2-3-8-17(15)19)14-6-4-5-13(11-14)9-10-18/h2-8,11-12H,9-10,18H2,1H3
InChIKeyKKCOHVKYLXIZCX-UHFFFAOYSA-N
XLogP3.35
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylindol-3-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-(1-methylindol-3-yl)phenyl]ethanamine (CID 82039841) is 2-[3-(1-methylindol-3-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(1-methylindol-3-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(1-methylindol-3-yl)phenyl]ethanamine is Cn1cc(-c2cccc(CCN)c2)c2ccccc21.
What is the InChIKey of 2-[3-(1-methylindol-3-yl)phenyl]ethanamine?
The InChIKey is KKCOHVKYLXIZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-19-12-16(15-7-2-3-8-17(15)19)14-6-4-5-13(11-14)9-10-18/h2-8,11-12H,9-10,18H2,1H3.
What are the key properties of 2-[3-(1-methylindol-3-yl)phenyl]ethanamine?
2-[3-(1-methylindol-3-yl)phenyl]ethanamine has a molecular weight of 250.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylindol-3-yl)phenyl]ethanamine is sourced from PubChem (CID 82039841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).