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

C14H11ClF3N — CID 134631582

IUPAC[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1ccc(Cl)c(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H11ClF3N/c15-13-6-1-9(8-19)7-12(13)10-2-4-11(5-3-10)14(16,17)18/h1-7H,8,19H2
InChIKeyBGPJQHBILXWTDT-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.48
Rot. Bonds2

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

[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine (PubChem CID 134631582) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is [4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine
PubChem CID134631582
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1ccc(Cl)c(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H11ClF3N/c15-13-6-1-9(8-19)7-12(13)10-2-4-11(5-3-10)14(16,17)18/h1-7H,8,19H2
InChIKeyBGPJQHBILXWTDT-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine
CID 39233059
[4-chloro-3-(4-fluorophenyl)phenyl]methanamine
CID 39231998
(4-chloro-3-phenylphenyl)methanamine
CID 39231703
2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene
CID 134619724
1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene
CID 162568601
1-chloro-2-(4-pentylphenyl)-4-(trifluoromethyl)benzene
CID 146987914
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
3-[4-[4-(aminomethyl)phenyl]phenyl]-4-chlorobenzoic acid
CID 68551105
[2-chloro-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine
CID 114748580
[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine
CID 68758847
[4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
CID 168665249
2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine
CID 115045738

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine?
The IUPAC name of [4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine (CID 134631582) is [4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine?
The canonical SMILES for [4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine is NCc1ccc(Cl)c(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of [4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine?
The InChIKey is BGPJQHBILXWTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c15-13-6-1-9(8-19)7-12(13)10-2-4-11(5-3-10)14(16,17)18/h1-7H,8,19H2.
What are the key properties of [4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine?
[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine has a molecular weight of 285.70 g/mol, XLogP of 4.48, 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-(trifluoromethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 134631582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).