4-(3,4-dichlorophenyl)-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

C18H19Cl2NO — CID 66808975

IUPAC4-(3,4-dichlorophenyl)-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCNC1Cc2cc(OC)ccc2C(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H19Cl2NO/c1-21-13-7-12-8-14(22-2)4-5-15(12)16(10-13)11-3-6-17(19)18(20)9-11/h3-6,8-9,13,16,21H,7,10H2,1-2H3
InChIKeyITAOJOPCIOQJOR-UHFFFAOYSA-N
MW336.26 g/mol
LogP4.67
Rot. Bonds3

About 4-(3,4-dichlorophenyl)-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

4-(3,4-dichlorophenyl)-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 66808975) has the molecular formula C18H19Cl2NO and a molecular weight of 336.26 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID66808975
Molecular FormulaC18H19Cl2NO
Molecular Weight336.26 g/mol
Exact Mass335.08
IUPAC Name4-(3,4-dichlorophenyl)-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCNC1Cc2cc(OC)ccc2C(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H19Cl2NO/c1-21-13-7-12-8-14(22-2)4-5-15(12)16(10-13)11-3-6-17(19)18(20)9-11/h3-6,8-9,13,16,21H,7,10H2,1-2H3
InChIKeyITAOJOPCIOQJOR-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-dichlorophenyl)-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-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)-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 66808975) is 4-(3,4-dichlorophenyl)-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is CNC1Cc2cc(OC)ccc2C(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is ITAOJOPCIOQJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO/c1-21-13-7-12-8-14(22-2)4-5-15(12)16(10-13)11-3-6-17(19)18(20)9-11/h3-6,8-9,13,16,21H,7,10H2,1-2H3.
What are the key properties of 4-(3,4-dichlorophenyl)-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
4-(3,4-dichlorophenyl)-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 336.26 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 66808975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).