4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine

C16H17ClN2 — CID 14493695

IUPAC4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCN1Cc2c(N)cccc2C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H17ClN2/c1-19-9-14(11-5-7-12(17)8-6-11)13-3-2-4-16(18)15(13)10-19/h2-8,14H,9-10,18H2,1H3
InChIKeyVOZWXKYLVQXXCK-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.50
Rot. Bonds1

About 4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine

4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 14493695) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID14493695
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCN1Cc2c(N)cccc2C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H17ClN2/c1-19-9-14(11-5-7-12(17)8-6-11)13-3-2-4-16(18)15(13)10-19/h2-8,14H,9-10,18H2,1H3
InChIKeyVOZWXKYLVQXXCK-UHFFFAOYSA-N
XLogP3.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine (CID 14493695) is 4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine is CN1Cc2c(N)cccc2C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is VOZWXKYLVQXXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-19-9-14(11-5-7-12(17)8-6-11)13-3-2-4-16(18)15(13)10-19/h2-8,14H,9-10,18H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 272.78 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 14493695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).