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

C18H20N2 — CID 3068603

IUPACN,N-dimethyl-1-(1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine
SMILESCN(C)CC1Cc2ccccc2C(c2ccccc2)=N1
InChIInChI=1S/C18H20N2/c1-20(2)13-16-12-15-10-6-7-11-17(15)18(19-16)14-8-4-3-5-9-14/h3-11,16H,12-13H2,1-2H3
InChIKeyWTFVMCVOOBSICY-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.01
Rot. Bonds3

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

N,N-dimethyl-1-(1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine (PubChem CID 3068603) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine
PubChem CID3068603
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC NameN,N-dimethyl-1-(1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine
SMILESCN(C)CC1Cc2ccccc2C(c2ccccc2)=N1
InChIInChI=1S/C18H20N2/c1-20(2)13-16-12-15-10-6-7-11-17(15)18(19-16)14-8-4-3-5-9-14/h3-11,16H,12-13H2,1-2H3
InChIKeyWTFVMCVOOBSICY-UHFFFAOYSA-N
XLogP3.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.01
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-(1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine (CID 3068603) is N,N-dimethyl-1-(1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine is CN(C)CC1Cc2ccccc2C(c2ccccc2)=N1.
What is the InChIKey of N,N-dimethyl-1-(1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine?
The InChIKey is WTFVMCVOOBSICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-20(2)13-16-12-15-10-6-7-11-17(15)18(19-16)14-8-4-3-5-9-14/h3-11,16H,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine?
N,N-dimethyl-1-(1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine has a molecular weight of 264.37 g/mol, XLogP of 3.01, 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-(1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine is sourced from PubChem (CID 3068603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).