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

C14H10Cl2F3N — CID 138040700

IUPAC(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(Cl)cc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H10Cl2F3N/c15-10-4-1-8(2-5-10)13(20)9-3-6-12(16)11(7-9)14(17,18)19/h1-7,13H,20H2
InChIKeyBLAZRDVQEKZTCJ-UHFFFAOYSA-N
MW320.14 g/mol
LogP5.06
Rot. Bonds2

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

(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 138040700) has the molecular formula C14H10Cl2F3N and a molecular weight of 320.14 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methanamine
PubChem CID138040700
Molecular FormulaC14H10Cl2F3N
Molecular Weight320.14 g/mol
Exact Mass319.01
IUPAC Name(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(Cl)cc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H10Cl2F3N/c15-10-4-1-8(2-5-10)13(20)9-3-6-12(16)11(7-9)14(17,18)19/h1-7,13H,20H2
InChIKeyBLAZRDVQEKZTCJ-UHFFFAOYSA-N
XLogP5.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.14
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288719
(S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 170898786
(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 115801247
(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 131272107
(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171227223
[3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride
CID 138986692
(1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171269007
(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
CID 171207650
(3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289145
(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207635
(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 171207674
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methanamine (CID 138040700) is (4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methanamine is NC(c1ccc(Cl)cc1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of (4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is BLAZRDVQEKZTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3N/c15-10-4-1-8(2-5-10)13(20)9-3-6-12(16)11(7-9)14(17,18)19/h1-7,13H,20H2.
What are the key properties of (4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methanamine?
(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 320.14 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 138040700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).