N-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine

C17H18Cl2FN — CID 107130464

IUPACN-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)cc(Cl)c1)c1ccc(C)c(F)c1
InChIInChI=1S/C17H18Cl2FN/c1-3-6-21-17(12-5-4-11(2)16(20)9-12)13-7-14(18)10-15(19)8-13/h4-5,7-10,17,21H,3,6H2,1-2H3
InChIKeyGSICKRPSZQSFMT-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.53
Rot. Bonds5

About N-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine

N-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine (PubChem CID 107130464) has the molecular formula C17H18Cl2FN and a molecular weight of 326.24 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
PubChem CID107130464
Molecular FormulaC17H18Cl2FN
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)cc(Cl)c1)c1ccc(C)c(F)c1
InChIInChI=1S/C17H18Cl2FN/c1-3-6-21-17(12-5-4-11(2)16(20)9-12)13-7-14(18)10-15(19)8-13/h4-5,7-10,17,21H,3,6H2,1-2H3
InChIKeyGSICKRPSZQSFMT-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-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-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413566
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 43497580
N-[(3-fluoro-4-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494693
N-[(4-bromo-3-chlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130155
N-[(4-chloro-3-fluorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine
CID 107992020
N-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 115859906
N-[(5-bromo-2-chlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130343
N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 60929622
N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105016393
N-[(5-bromo-4-chlorothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 80532108
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849
1-(3-chloro-5-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130082

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine (CID 107130464) is N-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine is CCCNC(c1cc(Cl)cc(Cl)c1)c1ccc(C)c(F)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine?
The InChIKey is GSICKRPSZQSFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN/c1-3-6-21-17(12-5-4-11(2)16(20)9-12)13-7-14(18)10-15(19)8-13/h4-5,7-10,17,21H,3,6H2,1-2H3.
What are the key properties of N-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine?
N-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine has a molecular weight of 326.24 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 107130464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).