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

C8H7BrF3N — CID 47002193

IUPAC[4-bromo-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H7BrF3N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H,4,13H2
InChIKeyGOXRWAZJVIOPFT-UHFFFAOYSA-N
MW254.05 g/mol
LogP2.93
Rot. Bonds1

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

[4-bromo-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 47002193) has the molecular formula C8H7BrF3N and a molecular weight of 254.05 g/mol. Its IUPAC name is [4-bromo-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-bromo-2-(trifluoromethyl)phenyl]methanamine
PubChem CID47002193
Molecular FormulaC8H7BrF3N
Molecular Weight254.05 g/mol
Exact Mass252.97
IUPAC Name[4-bromo-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H7BrF3N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H,4,13H2
InChIKeyGOXRWAZJVIOPFT-UHFFFAOYSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.05
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromobenzylamine
CID 77571
Benzenemethanamine, 3-bromo-
CID 457587
(4-Bromo-2-fluorophenyl)methanamine
CID 3770848
3-Bromobenzylamine hydrochloride
CID 2724980
4-Bromobenzylamine hydrochloride
CID 2724096
4-Bromo-2-fluorobenzylamine hydrochloride
CID 18468197
8-Bromo-4-fluoro-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 10933703
trans-(1S,2R)-2-[4-bromo-2-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 168275658
cis-(1R,2R)-2-[4-bromo-2-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 168288062
2-(5-Bromo-2-fluorophenyl)ethan-1-amine
CID 18509474
4-Bromo-3-(trifluoromethyl)benzylamine
CID 45933703
5-Bromo-2-fluorobenzylamine hydrochloride
CID 2724903

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]methanamine (CID 47002193) is [4-bromo-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-bromo-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-bromo-2-(trifluoromethyl)phenyl]methanamine is NCc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of [4-bromo-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is GOXRWAZJVIOPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H,4,13H2.
What are the key properties of [4-bromo-2-(trifluoromethyl)phenyl]methanamine?
[4-bromo-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 254.05 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 47002193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).