(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine

C14H11BrF3N — CID 43825139

IUPAC(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cccc(C(F)(F)F)c1)c1ccccc1Br
InChIInChI=1S/C14H11BrF3N/c15-12-7-2-1-6-11(12)13(19)9-4-3-5-10(8-9)14(16,17)18/h1-8,13H,19H2
InChIKeyZKATZICIIKDNAI-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.52
Rot. Bonds2

About (2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine

(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 43825139) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is (2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID43825139
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cccc(C(F)(F)F)c1)c1ccccc1Br
InChIInChI=1S/C14H11BrF3N/c15-12-7-2-1-6-11(12)13(19)9-4-3-5-10(8-9)14(16,17)18/h1-8,13H,19H2
InChIKeyZKATZICIIKDNAI-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 106645279
(2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115850757
(2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 114886642
(2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916544
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107974770
(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115566981
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
[2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine
CID 45282000
(2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 105394656
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine
CID 79746837
3-[amino-(2-bromophenyl)methyl]-N-methylaniline
CID 116936726
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine (CID 43825139) is (2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine is NC(c1cccc(C(F)(F)F)c1)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ZKATZICIIKDNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c15-12-7-2-1-6-11(12)13(19)9-4-3-5-10(8-9)14(16,17)18/h1-8,13H,19H2.
What are the key properties of (2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 330.15 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43825139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).