[3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride

C14H12Cl2F3N — CID 138986692

IUPAC[3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride
SMILESCl.NC(c1ccccc1)c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C14H11ClF3N.ClH/c15-12-8-10(6-7-11(12)14(16,17)18)13(19)9-4-2-1-3-5-9;/h1-8,13H,19H2;1H
InChIKeyCUPRHTRSHFDNHD-UHFFFAOYSA-N
MW322.16 g/mol
LogP4.83
Rot. Bonds2

About [3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride

[3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride (PubChem CID 138986692) has the molecular formula C14H12Cl2F3N and a molecular weight of 322.16 g/mol. Its IUPAC name is [3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride.

Molecular Properties

Compound Name[3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride
PubChem CID138986692
Molecular FormulaC14H12Cl2F3N
Molecular Weight322.16 g/mol
Exact Mass321.03
IUPAC Name[3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride
SMILESCl.NC(c1ccccc1)c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C14H11ClF3N.ClH/c15-12-8-10(6-7-11(12)14(16,17)18)13(19)9-4-2-1-3-5-9;/h1-8,13H,19H2;1H
InChIKeyCUPRHTRSHFDNHD-UHFFFAOYSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171251448
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
CID 171234863
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512002
(S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 170898786
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
CID 131415614
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171234883
(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methanamine
CID 138040700
(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288719
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethyl)phenyl]-3,3-dimethylbutan-2-ol;hydrochloride
CID 171265714
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
CID 171215251
(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 115801247
(3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol
CID 171244725

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride?
The IUPAC name of [3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride (CID 138986692) is [3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride.
What is the SMILES notation for [3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride?
The canonical SMILES for [3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride is Cl.NC(c1ccccc1)c1ccc(C(F)(F)F)c(Cl)c1.
What is the InChIKey of [3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride?
The InChIKey is CUPRHTRSHFDNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N.ClH/c15-12-8-10(6-7-11(12)14(16,17)18)13(19)9-4-2-1-3-5-9;/h1-8,13H,19H2;1H.
What are the key properties of [3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride?
[3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride has a molecular weight of 322.16 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride is sourced from PubChem (CID 138986692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).