2-(1,3-dihydroisoindol-2-yl)-4-phenylpentan-1-amine

C19H24N2 — CID 62204461

IUPAC2-(1,3-dihydroisoindol-2-yl)-4-phenylpentan-1-amine
SMILESCC(CC(CN)N1Cc2ccccc2C1)c1ccccc1
InChIInChI=1S/C19H24N2/c1-15(16-7-3-2-4-8-16)11-19(12-20)21-13-17-9-5-6-10-18(17)14-21/h2-10,15,19H,11-14,20H2,1H3
InChIKeyFMZZZLBOTDCFEL-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.52
Rot. Bonds5

About 2-(1,3-dihydroisoindol-2-yl)-4-phenylpentan-1-amine

2-(1,3-dihydroisoindol-2-yl)-4-phenylpentan-1-amine (PubChem CID 62204461) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-4-phenylpentan-1-amine.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-4-phenylpentan-1-amine
PubChem CID62204461
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-4-phenylpentan-1-amine
SMILESCC(CC(CN)N1Cc2ccccc2C1)c1ccccc1
InChIInChI=1S/C19H24N2/c1-15(16-7-3-2-4-8-16)11-19(12-20)21-13-17-9-5-6-10-18(17)14-21/h2-10,15,19H,11-14,20H2,1H3
InChIKeyFMZZZLBOTDCFEL-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1,3-dihydroisoindol-2-yl)-4-phenylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-4-phenylpentan-1-amine?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-4-phenylpentan-1-amine (CID 62204461) is 2-(1,3-dihydroisoindol-2-yl)-4-phenylpentan-1-amine.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-4-phenylpentan-1-amine?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-4-phenylpentan-1-amine is CC(CC(CN)N1Cc2ccccc2C1)c1ccccc1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-4-phenylpentan-1-amine?
The InChIKey is FMZZZLBOTDCFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-15(16-7-3-2-4-8-16)11-19(12-20)21-13-17-9-5-6-10-18(17)14-21/h2-10,15,19H,11-14,20H2,1H3.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-4-phenylpentan-1-amine?
2-(1,3-dihydroisoindol-2-yl)-4-phenylpentan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-4-phenylpentan-1-amine is sourced from PubChem (CID 62204461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).