1-(7-chloro-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylmethanamine

C18H19ClN2 — CID 3068610

IUPAC1-(7-chloro-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1Cc2ccc(Cl)cc2C(c2ccccc2)=N1
InChIInChI=1S/C18H19ClN2/c1-21(2)12-16-10-14-8-9-15(19)11-17(14)18(20-16)13-6-4-3-5-7-13/h3-9,11,16H,10,12H2,1-2H3
InChIKeyMHUJXSHQRUTFKD-UHFFFAOYSA-N
MW298.82 g/mol
LogP3.66
Rot. Bonds3

About 1-(7-chloro-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylmethanamine

1-(7-chloro-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylmethanamine (PubChem CID 3068610) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 1-(7-chloro-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(7-chloro-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylmethanamine
PubChem CID3068610
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name1-(7-chloro-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1Cc2ccc(Cl)cc2C(c2ccccc2)=N1
InChIInChI=1S/C18H19ClN2/c1-21(2)12-16-10-14-8-9-15(19)11-17(14)18(20-16)13-6-4-3-5-7-13/h3-9,11,16H,10,12H2,1-2H3
InChIKeyMHUJXSHQRUTFKD-UHFFFAOYSA-N
XLogP3.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(7-chloro-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylmethanamine 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 1-(7-chloro-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(7-chloro-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylmethanamine (CID 3068610) is 1-(7-chloro-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(7-chloro-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(7-chloro-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylmethanamine is CN(C)CC1Cc2ccc(Cl)cc2C(c2ccccc2)=N1.
What is the InChIKey of 1-(7-chloro-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylmethanamine?
The InChIKey is MHUJXSHQRUTFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-21(2)12-16-10-14-8-9-15(19)11-17(14)18(20-16)13-6-4-3-5-7-13/h3-9,11,16H,10,12H2,1-2H3.
What are the key properties of 1-(7-chloro-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylmethanamine?
1-(7-chloro-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylmethanamine has a molecular weight of 298.82 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 3068610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).