[4-chloro-3-(4-fluorophenyl)phenyl]methanamine

C13H11ClFN — CID 39231998

IUPAC[4-chloro-3-(4-fluorophenyl)phenyl]methanamine
SMILESNCc1ccc(Cl)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H11ClFN/c14-13-6-1-9(8-16)7-12(13)10-2-4-11(15)5-3-10/h1-7H,8,16H2
InChIKeyXNWIPSARSMETMG-UHFFFAOYSA-N
MW235.69 g/mol
LogP3.60
Rot. Bonds2

About [4-chloro-3-(4-fluorophenyl)phenyl]methanamine

[4-chloro-3-(4-fluorophenyl)phenyl]methanamine (PubChem CID 39231998) has the molecular formula C13H11ClFN and a molecular weight of 235.69 g/mol. Its IUPAC name is [4-chloro-3-(4-fluorophenyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-3-(4-fluorophenyl)phenyl]methanamine
PubChem CID39231998
Molecular FormulaC13H11ClFN
Molecular Weight235.69 g/mol
Exact Mass235.06
IUPAC Name[4-chloro-3-(4-fluorophenyl)phenyl]methanamine
SMILESNCc1ccc(Cl)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H11ClFN/c14-13-6-1-9(8-16)7-12(13)10-2-4-11(15)5-3-10/h1-7H,8,16H2
InChIKeyXNWIPSARSMETMG-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-phenylphenyl)methanamine
CID 39231703
[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631582
[3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine
CID 39233059
[3-(2-chloro-5-fluorophenyl)-5-fluorophenyl]methanamine;hydrochloride
CID 172653896
4-(2-chloro-5-fluorophenyl)aniline
CID 105395647
2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine
CID 82107251
2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine
CID 115045738
[2,4-dichloro-6-(4-fluorophenyl)phenyl]methanamine
CID 19807615
N-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine
CID 105395732
3-[4-[4-(aminomethyl)phenyl]phenyl]-4-chlorobenzoic acid
CID 68551105
[3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine
CID 113324837
[3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine
CID 172653869

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(4-fluorophenyl)phenyl]methanamine?
The IUPAC name of [4-chloro-3-(4-fluorophenyl)phenyl]methanamine (CID 39231998) is [4-chloro-3-(4-fluorophenyl)phenyl]methanamine.
What is the SMILES notation for [4-chloro-3-(4-fluorophenyl)phenyl]methanamine?
The canonical SMILES for [4-chloro-3-(4-fluorophenyl)phenyl]methanamine is NCc1ccc(Cl)c(-c2ccc(F)cc2)c1.
What is the InChIKey of [4-chloro-3-(4-fluorophenyl)phenyl]methanamine?
The InChIKey is XNWIPSARSMETMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN/c14-13-6-1-9(8-16)7-12(13)10-2-4-11(15)5-3-10/h1-7H,8,16H2.
What are the key properties of [4-chloro-3-(4-fluorophenyl)phenyl]methanamine?
[4-chloro-3-(4-fluorophenyl)phenyl]methanamine has a molecular weight of 235.69 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(4-fluorophenyl)phenyl]methanamine is sourced from PubChem (CID 39231998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).