1-(4-chlorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine

C17H17ClN2 — CID 10016762

IUPAC1-(4-chlorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine
SMILESCN(C)C1=NC(c2ccc(Cl)cc2)c2ccccc2C1
InChIInChI=1S/C17H17ClN2/c1-20(2)16-11-13-5-3-4-6-15(13)17(19-16)12-7-9-14(18)10-8-12/h3-10,17H,11H2,1-2H3
InChIKeyQIGJIIGGHBIBIJ-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.95
Rot. Bonds1

About 1-(4-chlorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine

1-(4-chlorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine (PubChem CID 10016762) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine
PubChem CID10016762
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name1-(4-chlorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine
SMILESCN(C)C1=NC(c2ccc(Cl)cc2)c2ccccc2C1
InChIInChI=1S/C17H17ClN2/c1-20(2)16-11-13-5-3-4-6-15(13)17(19-16)12-7-9-14(18)10-8-12/h3-10,17H,11H2,1-2H3
InChIKeyQIGJIIGGHBIBIJ-UHFFFAOYSA-N
XLogP3.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine?
The IUPAC name of 1-(4-chlorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine (CID 10016762) is 1-(4-chlorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine is CN(C)C1=NC(c2ccc(Cl)cc2)c2ccccc2C1.
What is the InChIKey of 1-(4-chlorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine?
The InChIKey is QIGJIIGGHBIBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-20(2)16-11-13-5-3-4-6-15(13)17(19-16)12-7-9-14(18)10-8-12/h3-10,17H,11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine?
1-(4-chlorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine has a molecular weight of 284.79 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine is sourced from PubChem (CID 10016762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).