2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine

C17H20N2 — CID 16793061

IUPAC2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(CN)N2CCc3ccccc32)c1
InChIInChI=1S/C17H20N2/c1-13-5-4-7-15(11-13)17(12-18)19-10-9-14-6-2-3-8-16(14)19/h2-8,11,17H,9-10,12,18H2,1H3
InChIKeyAVPNDRAMQOLAFJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.06
Rot. Bonds3

About 2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine

2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine (PubChem CID 16793061) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine
PubChem CID16793061
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(CN)N2CCc3ccccc32)c1
InChIInChI=1S/C17H20N2/c1-13-5-4-7-15(11-13)17(12-18)19-10-9-14-6-2-3-8-16(14)19/h2-8,11,17H,9-10,12,18H2,1H3
InChIKeyAVPNDRAMQOLAFJ-UHFFFAOYSA-N
XLogP3.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine (CID 16793061) is 2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine is Cc1cccc(C(CN)N2CCc3ccccc32)c1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine?
The InChIKey is AVPNDRAMQOLAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-13-5-4-7-15(11-13)17(12-18)19-10-9-14-6-2-3-8-16(14)19/h2-8,11,17H,9-10,12,18H2,1H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine?
2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine has a molecular weight of 252.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 16793061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).