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

C9H9BrF3N — CID 58968640

IUPAC[2-bromo-4-methyl-5-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(Br)c(CN)cc1C(F)(F)F
InChIInChI=1S/C9H9BrF3N/c1-5-2-8(10)6(4-14)3-7(5)9(11,12)13/h2-3H,4,14H2,1H3
InChIKeyYWBVFIUNNREREM-UHFFFAOYSA-N
MW268.08 g/mol
LogP3.24
Rot. Bonds1

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

[2-bromo-4-methyl-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 58968640) has the molecular formula C9H9BrF3N and a molecular weight of 268.08 g/mol. Its IUPAC name is [2-bromo-4-methyl-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-4-methyl-5-(trifluoromethyl)phenyl]methanamine
PubChem CID58968640
Molecular FormulaC9H9BrF3N
Molecular Weight268.08 g/mol
Exact Mass266.99
IUPAC Name[2-bromo-4-methyl-5-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(Br)c(CN)cc1C(F)(F)F
InChIInChI=1S/C9H9BrF3N/c1-5-2-8(10)6(4-14)3-7(5)9(11,12)13/h2-3H,4,14H2,1H3
InChIKeyYWBVFIUNNREREM-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromo-3-(trifluoromethyl)benzylamine
CID 45933703
(5-Bromo-2-methylphenyl)methanamine
CID 21366765
(4-Bromo-3-methylphenyl)methanamine hydrochloride
CID 23500408
(4-Bromo-2-methylphenyl)methanamine hydrochloride
CID 44119300
1-Bromo-2,5-dimethyl-4-(trifluoromethyl)benzene
CID 44717342
(2-Bromo-5-(trifluoromethyl)phenyl)methanamine
CID 44887024
(3-Bromo-2-methylphenyl)methanamine
CID 53414428
(3-Bromo-4-methylphenyl)methanamine
CID 53414434
3-Bromo-5-(trifluoromethyl)benzylamine
CID 53414438
(2-Bromo-4-(trifluoromethyl)phenyl)methanamine
CID 91755691
(4-Bromo-2,6-dimethylphenyl)methanamine hydrochloride
CID 137935588
4-Bromo-2-methylbenzylamine
CID 2735592

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-methyl-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-bromo-4-methyl-5-(trifluoromethyl)phenyl]methanamine (CID 58968640) is [2-bromo-4-methyl-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-bromo-4-methyl-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-bromo-4-methyl-5-(trifluoromethyl)phenyl]methanamine is Cc1cc(Br)c(CN)cc1C(F)(F)F.
What is the InChIKey of [2-bromo-4-methyl-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is YWBVFIUNNREREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3N/c1-5-2-8(10)6(4-14)3-7(5)9(11,12)13/h2-3H,4,14H2,1H3.
What are the key properties of [2-bromo-4-methyl-5-(trifluoromethyl)phenyl]methanamine?
[2-bromo-4-methyl-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 268.08 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-methyl-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 58968640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).