N,2-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine

C17H20N2 — CID 10037871

IUPACN,2-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCNc1cccc2c1CN(C)CC2c1ccccc1
InChIInChI=1S/C17H20N2/c1-18-17-10-6-9-14-15(11-19(2)12-16(14)17)13-7-4-3-5-8-13/h3-10,15,18H,11-12H2,1-2H3
InChIKeySLBMARGEYPIKMK-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.31
Rot. Bonds2

About N,2-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine

N,2-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 10037871) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N,2-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound NameN,2-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID10037871
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN,2-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCNc1cccc2c1CN(C)CC2c1ccccc1
InChIInChI=1S/C17H20N2/c1-18-17-10-6-9-14-15(11-19(2)12-16(14)17)13-7-4-3-5-8-13/h3-10,15,18H,11-12H2,1-2H3
InChIKeySLBMARGEYPIKMK-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of N,2-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine (CID 10037871) is N,2-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for N,2-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for N,2-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine is CNc1cccc2c1CN(C)CC2c1ccccc1.
What is the InChIKey of N,2-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is SLBMARGEYPIKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-18-17-10-6-9-14-15(11-19(2)12-16(14)17)13-7-4-3-5-8-13/h3-10,15,18H,11-12H2,1-2H3.
What are the key properties of N,2-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine?
N,2-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 252.36 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 10037871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).