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

C14H10BrClF3N — CID 115566981

IUPAC(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H10BrClF3N/c15-11-7-9(4-5-12(11)16)13(20)8-2-1-3-10(6-8)14(17,18)19/h1-7,13H,20H2
InChIKeyZQRCGQHKJAJKJH-UHFFFAOYSA-N
MW364.59 g/mol
LogP5.17
Rot. Bonds2

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

(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 115566981) has the molecular formula C14H10BrClF3N and a molecular weight of 364.59 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID115566981
Molecular FormulaC14H10BrClF3N
Molecular Weight364.59 g/mol
Exact Mass362.96
IUPAC Name(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H10BrClF3N/c15-11-7-9(4-5-12(11)16)13(20)8-2-1-3-10(6-8)14(17,18)19/h1-7,13H,20H2
InChIKeyZQRCGQHKJAJKJH-UHFFFAOYSA-N
XLogP5.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.59
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107974770
(2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 105394656
(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43825139
(2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 114886642
(3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 106645279
(2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115850757
(2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107503114
(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 79780298
(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 28502674
(4-fluoro-3,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65299620
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine (CID 115566981) is (3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine is NC(c1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ZQRCGQHKJAJKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF3N/c15-11-7-9(4-5-12(11)16)13(20)8-2-1-3-10(6-8)14(17,18)19/h1-7,13H,20H2.
What are the key properties of (3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 364.59 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 115566981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).