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

C16H16Cl2N2 — CID 22386894

IUPAC4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCN1Cc2c(N)cccc2C(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H16Cl2N2/c1-20-8-12(10-5-6-14(17)15(18)7-10)11-3-2-4-16(19)13(11)9-20/h2-7,12H,8-9,19H2,1H3
InChIKeyIRZHQDDIUQJKJQ-UHFFFAOYSA-N
MW307.22 g/mol
LogP4.15
Rot. Bonds1

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

4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 22386894) has the molecular formula C16H16Cl2N2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID22386894
Molecular FormulaC16H16Cl2N2
Molecular Weight307.22 g/mol
Exact Mass306.07
IUPAC Name4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCN1Cc2c(N)cccc2C(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H16Cl2N2/c1-20-8-12(10-5-6-14(17)15(18)7-10)11-3-2-4-16(19)13(11)9-20/h2-7,12H,8-9,19H2,1H3
InChIKeyIRZHQDDIUQJKJQ-UHFFFAOYSA-N
XLogP4.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine (CID 22386894) is 4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine is CN1Cc2c(N)cccc2C(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is IRZHQDDIUQJKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2/c1-20-8-12(10-5-6-14(17)15(18)7-10)11-3-2-4-16(19)13(11)9-20/h2-7,12H,8-9,19H2,1H3.
What are the key properties of 4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 307.22 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 22386894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).