[2-bromo-4-chloro-5-(trifluoromethyl)phenyl]methanamine

C8H6BrClF3N — CID 171014019

IUPAC[2-bromo-4-chloro-5-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(C(F)(F)F)c(Cl)cc1Br
InChIInChI=1S/C8H6BrClF3N/c9-6-2-7(10)5(8(11,12)13)1-4(6)3-14/h1-2H,3,14H2
InChIKeyALRBRBTXLOYHCZ-UHFFFAOYSA-N
MW288.49 g/mol
LogP3.58
Rot. Bonds1

About [2-bromo-4-chloro-5-(trifluoromethyl)phenyl]methanamine

[2-bromo-4-chloro-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 171014019) has the molecular formula C8H6BrClF3N and a molecular weight of 288.49 g/mol. Its IUPAC name is [2-bromo-4-chloro-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-4-chloro-5-(trifluoromethyl)phenyl]methanamine
PubChem CID171014019
Molecular FormulaC8H6BrClF3N
Molecular Weight288.49 g/mol
Exact Mass286.93
IUPAC Name[2-bromo-4-chloro-5-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(C(F)(F)F)c(Cl)cc1Br
InChIInChI=1S/C8H6BrClF3N/c9-6-2-7(10)5(8(11,12)13)1-4(6)3-14/h1-2H,3,14H2
InChIKeyALRBRBTXLOYHCZ-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine
CID 171014545
[2-bromo-4-iodo-5-(trifluoromethyl)phenyl]methanamine
CID 171019851
[2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171020934
[4-bromo-2-nitro-5-(trifluoromethyl)phenyl]methanamine
CID 171011832
1-[2-bromo-5-chloro-4-(trifluoromethyl)phenyl]ethanone
CID 121227611
[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 171009321
[6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130070024
5-(aminomethyl)-4-chloro-2-(trifluoromethyl)benzonitrile
CID 171015389
[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]methanamine
CID 171014285
5-bromo-2-chloro-4-(trifluoromethyl)aniline
CID 121227632
[2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 107289712
2-(aminomethyl)-4,5-bis(trifluoromethyl)benzaldehyde
CID 118846578

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-chloro-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-bromo-4-chloro-5-(trifluoromethyl)phenyl]methanamine (CID 171014019) is [2-bromo-4-chloro-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-bromo-4-chloro-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-bromo-4-chloro-5-(trifluoromethyl)phenyl]methanamine is NCc1cc(C(F)(F)F)c(Cl)cc1Br.
What is the InChIKey of [2-bromo-4-chloro-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ALRBRBTXLOYHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClF3N/c9-6-2-7(10)5(8(11,12)13)1-4(6)3-14/h1-2H,3,14H2.
What are the key properties of [2-bromo-4-chloro-5-(trifluoromethyl)phenyl]methanamine?
[2-bromo-4-chloro-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 288.49 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-chloro-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 171014019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).