N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine

C15H13ClF3N — CID 107992930

IUPACN-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H13ClF3N/c1-2-20-15(9-3-4-13(16)14(19)7-9)10-5-11(17)8-12(18)6-10/h3-8,15,20H,2H2,1H3
InChIKeyJNQYCZPLJGIXMS-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.46
Rot. Bonds4

About N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine

N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine (PubChem CID 107992930) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
PubChem CID107992930
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC NameN-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H13ClF3N/c1-2-20-15(9-3-4-13(16)14(19)7-9)10-5-11(17)8-12(18)6-10/h3-8,15,20H,2H2,1H3
InChIKeyJNQYCZPLJGIXMS-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972
N-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine
CID 107994577
N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine
CID 43489099
N-[(4-chloro-3-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107993159
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851
N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 63502767
N-[(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130379
N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489212
N-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine
CID 106849072
N-[(4-bromo-3-fluorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105016605
N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine
CID 115792045

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine (CID 107992930) is N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine is CCNC(c1cc(F)cc(F)c1)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine?
The InChIKey is JNQYCZPLJGIXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c1-2-20-15(9-3-4-13(16)14(19)7-9)10-5-11(17)8-12(18)6-10/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine?
N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine has a molecular weight of 299.72 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 107992930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).