N,N-dimethyl-1-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine

C19H22N2 — CID 3068611

IUPACN,N-dimethyl-1-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine
SMILESCc1ccc2c(c1)C(c1ccccc1)=NC(CN(C)C)C2
InChIInChI=1S/C19H22N2/c1-14-9-10-16-12-17(13-21(2)3)20-19(18(16)11-14)15-7-5-4-6-8-15/h4-11,17H,12-13H2,1-3H3
InChIKeyKCZKRZSJEMDZDW-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.32
Rot. Bonds3

About N,N-dimethyl-1-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine

N,N-dimethyl-1-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine (PubChem CID 3068611) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N,N-dimethyl-1-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine
PubChem CID3068611
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC NameN,N-dimethyl-1-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine
SMILESCc1ccc2c(c1)C(c1ccccc1)=NC(CN(C)C)C2
InChIInChI=1S/C19H22N2/c1-14-9-10-16-12-17(13-21(2)3)20-19(18(16)11-14)15-7-5-4-6-8-15/h4-11,17H,12-13H2,1-3H3
InChIKeyKCZKRZSJEMDZDW-UHFFFAOYSA-N
XLogP3.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine (CID 3068611) is N,N-dimethyl-1-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine is Cc1ccc2c(c1)C(c1ccccc1)=NC(CN(C)C)C2.
What is the InChIKey of N,N-dimethyl-1-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine?
The InChIKey is KCZKRZSJEMDZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-14-9-10-16-12-17(13-21(2)3)20-19(18(16)11-14)15-7-5-4-6-8-15/h4-11,17H,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine?
N,N-dimethyl-1-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine has a molecular weight of 278.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine is sourced from PubChem (CID 3068611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).