N,N-dimethyl-3-(1-phenyl-3,4-dihydroisoquinolin-3-yl)propan-1-amine

C20H24N2 — CID 3068660

IUPACN,N-dimethyl-3-(1-phenyl-3,4-dihydroisoquinolin-3-yl)propan-1-amine
SMILESCN(C)CCCC1Cc2ccccc2C(c2ccccc2)=N1
InChIInChI=1S/C20H24N2/c1-22(2)14-8-12-18-15-17-11-6-7-13-19(17)20(21-18)16-9-4-3-5-10-16/h3-7,9-11,13,18H,8,12,14-15H2,1-2H3
InChIKeyTWJXRLRIROGPAL-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.79
Rot. Bonds5

About N,N-dimethyl-3-(1-phenyl-3,4-dihydroisoquinolin-3-yl)propan-1-amine

N,N-dimethyl-3-(1-phenyl-3,4-dihydroisoquinolin-3-yl)propan-1-amine (PubChem CID 3068660) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N,N-dimethyl-3-(1-phenyl-3,4-dihydroisoquinolin-3-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(1-phenyl-3,4-dihydroisoquinolin-3-yl)propan-1-amine
PubChem CID3068660
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC NameN,N-dimethyl-3-(1-phenyl-3,4-dihydroisoquinolin-3-yl)propan-1-amine
SMILESCN(C)CCCC1Cc2ccccc2C(c2ccccc2)=N1
InChIInChI=1S/C20H24N2/c1-22(2)14-8-12-18-15-17-11-6-7-13-19(17)20(21-18)16-9-4-3-5-10-16/h3-7,9-11,13,18H,8,12,14-15H2,1-2H3
InChIKeyTWJXRLRIROGPAL-UHFFFAOYSA-N
XLogP3.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-3-(1-phenyl-3,4-dihydroisoquinolin-3-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 N,N-dimethyl-3-(1-phenyl-3,4-dihydroisoquinolin-3-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(1-phenyl-3,4-dihydroisoquinolin-3-yl)propan-1-amine (CID 3068660) is N,N-dimethyl-3-(1-phenyl-3,4-dihydroisoquinolin-3-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(1-phenyl-3,4-dihydroisoquinolin-3-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(1-phenyl-3,4-dihydroisoquinolin-3-yl)propan-1-amine is CN(C)CCCC1Cc2ccccc2C(c2ccccc2)=N1.
What is the InChIKey of N,N-dimethyl-3-(1-phenyl-3,4-dihydroisoquinolin-3-yl)propan-1-amine?
The InChIKey is TWJXRLRIROGPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-22(2)14-8-12-18-15-17-11-6-7-13-19(17)20(21-18)16-9-4-3-5-10-16/h3-7,9-11,13,18H,8,12,14-15H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(1-phenyl-3,4-dihydroisoquinolin-3-yl)propan-1-amine?
N,N-dimethyl-3-(1-phenyl-3,4-dihydroisoquinolin-3-yl)propan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1-phenyl-3,4-dihydroisoquinolin-3-yl)propan-1-amine is sourced from PubChem (CID 3068660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).