3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine

C20H26N2 — CID 24901524

IUPAC3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
SMILESCc1ccc2c(c1C)CN(CCCN)CC2c1ccccc1
InChIInChI=1S/C20H26N2/c1-15-9-10-18-19(16(15)2)13-22(12-6-11-21)14-20(18)17-7-4-3-5-8-17/h3-5,7-10,20H,6,11-14,21H2,1-2H3
InChIKeyFCNHTDRCOYRUFC-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.60
Rot. Bonds4

About 3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine

3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine (PubChem CID 24901524) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
PubChem CID24901524
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
SMILESCc1ccc2c(c1C)CN(CCCN)CC2c1ccccc1
InChIInChI=1S/C20H26N2/c1-15-9-10-18-19(16(15)2)13-22(12-6-11-21)14-20(18)17-7-4-3-5-8-17/h3-5,7-10,20H,6,11-14,21H2,1-2H3
InChIKeyFCNHTDRCOYRUFC-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-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 3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine?
The IUPAC name of 3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine (CID 24901524) is 3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine?
The canonical SMILES for 3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine is Cc1ccc2c(c1C)CN(CCCN)CC2c1ccccc1.
What is the InChIKey of 3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine?
The InChIKey is FCNHTDRCOYRUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-15-9-10-18-19(16(15)2)13-22(12-6-11-21)14-20(18)17-7-4-3-5-8-17/h3-5,7-10,20H,6,11-14,21H2,1-2H3.
What are the key properties of 3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine?
3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine is sourced from PubChem (CID 24901524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).