N-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine

C17H18ClF2N — CID 107516087

IUPACN-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(Cl)c1)c1ccc(C)c(F)c1F
InChIInChI=1S/C17H18ClF2N/c1-4-21-17(12-7-10(2)8-13(18)9-12)14-6-5-11(3)15(19)16(14)20/h5-9,17,21H,4H2,1-3H3
InChIKeyHECRSUKLVAUOFN-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.93
Rot. Bonds4

About N-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine

N-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine (PubChem CID 107516087) has the molecular formula C17H18ClF2N and a molecular weight of 309.79 g/mol. Its IUPAC name is N-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
PubChem CID107516087
Molecular FormulaC17H18ClF2N
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC NameN-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(Cl)c1)c1ccc(C)c(F)c1F
InChIInChI=1S/C17H18ClF2N/c1-4-21-17(12-7-10(2)8-13(18)9-12)14-6-5-11(3)15(19)16(14)20/h5-9,17,21H,4H2,1-3H3
InChIKeyHECRSUKLVAUOFN-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine 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-chloro-5-methylphenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 81324084
N-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 104990354
N-[(3-chloro-4-methylphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 107562129
N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105016496
N-[(2-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 81315884
N-[(3,5-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 65299159
N-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine
CID 107515352
N-[(2,6-difluoro-3-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796796
N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 115811950
N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487968
N-[(2-bromo-4-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 107994518
N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 107515944

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine (CID 107516087) is N-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine is CCNC(c1cc(C)cc(Cl)c1)c1ccc(C)c(F)c1F.
What is the InChIKey of N-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine?
The InChIKey is HECRSUKLVAUOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N/c1-4-21-17(12-7-10(2)8-13(18)9-12)14-6-5-11(3)15(19)16(14)20/h5-9,17,21H,4H2,1-3H3.
What are the key properties of N-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine?
N-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine has a molecular weight of 309.79 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 107516087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).