N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine

C15H14ClF2N — CID 43488972

IUPACN-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14ClF2N/c1-2-19-15(10-3-6-12(16)7-4-10)11-5-8-13(17)14(18)9-11/h3-9,15,19H,2H2,1H3
InChIKeyCSXADXKYHGMUSM-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.32
Rot. Bonds4

About N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine

N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine (PubChem CID 43488972) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
PubChem CID43488972
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC NameN-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14ClF2N/c1-2-19-15(10-3-6-12(16)7-4-10)11-5-8-13(17)14(18)9-11/h3-9,15,19H,2H2,1H3
InChIKeyCSXADXKYHGMUSM-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorothiophen-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 80529029
N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43805282
N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 107992930
N-[(4-chlorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 43490422
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849
N-[(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130379
N-[(4-bromo-3,5-dimethylphenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 114330705
N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62964289
N-[(3-chloro-4-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 82872461
N-[(4-chloro-3-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107993159
N-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine
CID 107503764
[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105193316

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine (CID 43488972) is N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine?
The InChIKey is CSXADXKYHGMUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-2-19-15(10-3-6-12(16)7-4-10)11-5-8-13(17)14(18)9-11/h3-9,15,19H,2H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine?
N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine has a molecular weight of 281.73 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43488972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).