N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine

C17H19Cl2NO — CID 63452912

IUPACN-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-12(7-14-5-3-4-6-17(14)21-2)20-11-13-8-15(18)10-16(19)9-13/h3-6,8-10,12,20H,7,11H2,1-2H3
InChIKeyWFHVASACELIAMA-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.72
Rot. Bonds6

About N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine

N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine (PubChem CID 63452912) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
PubChem CID63452912
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-12(7-14-5-3-4-6-17(14)21-2)20-11-13-8-15(18)10-16(19)9-13/h3-6,8-10,12,20H,7,11H2,1-2H3
InChIKeyWFHVASACELIAMA-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-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

Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 119165099
N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 43767012
N-[(4-bromo-3-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 81432305
2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 63449510
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 60936188
N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 110174086
2-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-6-methylphenol
CID 115904873
2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol
CID 61391582
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 119164539
2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43758711
1-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 103910225

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine (CID 63452912) is N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine is COc1ccccc1CC(C)NCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine?
The InChIKey is WFHVASACELIAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-12(7-14-5-3-4-6-17(14)21-2)20-11-13-8-15(18)10-16(19)9-13/h3-6,8-10,12,20H,7,11H2,1-2H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine?
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine has a molecular weight of 324.25 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 63452912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).