[2-bromo-6-methoxy-3-(trifluoromethyl)phenyl]methanamine

C9H9BrF3NO — CID 171019511

IUPAC[2-bromo-6-methoxy-3-(trifluoromethyl)phenyl]methanamine
SMILESCOc1ccc(C(F)(F)F)c(Br)c1CN
InChIInChI=1S/C9H9BrF3NO/c1-15-7-3-2-6(9(11,12)13)8(10)5(7)4-14/h2-3H,4,14H2,1H3
InChIKeyHNYKOLNBPYQXOO-UHFFFAOYSA-N
MW284.07 g/mol
LogP2.94
Rot. Bonds2

About [2-bromo-6-methoxy-3-(trifluoromethyl)phenyl]methanamine

[2-bromo-6-methoxy-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 171019511) has the molecular formula C9H9BrF3NO and a molecular weight of 284.07 g/mol. Its IUPAC name is [2-bromo-6-methoxy-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-6-methoxy-3-(trifluoromethyl)phenyl]methanamine
PubChem CID171019511
Molecular FormulaC9H9BrF3NO
Molecular Weight284.07 g/mol
Exact Mass282.98
IUPAC Name[2-bromo-6-methoxy-3-(trifluoromethyl)phenyl]methanamine
SMILESCOc1ccc(C(F)(F)F)c(Br)c1CN
InChIInChI=1S/C9H9BrF3NO/c1-15-7-3-2-6(9(11,12)13)8(10)5(7)4-14/h2-3H,4,14H2,1H3
InChIKeyHNYKOLNBPYQXOO-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminobutyl)-6-methoxy-3-(trifluoromethyl)phenol
CID 117412088
3-methoxy-6-(trifluoromethyl)benzene-1,2-diol
CID 84675773
(2-ethyl-3,6-dimethoxyphenyl)methanamine
CID 84666315
4-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]butanoic acid
CID 117471835
2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 103524210
2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3-methylbutan-1-amine
CID 103524211
2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoropentan-1-amine
CID 103524213
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)-3,3,3-trifluoropropanoic acid
CID 103523841
2-bromo-1-methoxy-3-nitro-4-(trifluoromethyl)benzene
CID 171000238
1,5-bis[4-methoxy-3-(trifluoromethyl)phenyl]pentan-3-one
CID 151393915
(2,3-dibromo-6-methoxyphenyl)methanol
CID 171002454
2-(2-bromo-3,6-dimethoxyphenyl)acetic acid
CID 84810613

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-methoxy-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-bromo-6-methoxy-3-(trifluoromethyl)phenyl]methanamine (CID 171019511) is [2-bromo-6-methoxy-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-bromo-6-methoxy-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-bromo-6-methoxy-3-(trifluoromethyl)phenyl]methanamine is COc1ccc(C(F)(F)F)c(Br)c1CN.
What is the InChIKey of [2-bromo-6-methoxy-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is HNYKOLNBPYQXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO/c1-15-7-3-2-6(9(11,12)13)8(10)5(7)4-14/h2-3H,4,14H2,1H3.
What are the key properties of [2-bromo-6-methoxy-3-(trifluoromethyl)phenyl]methanamine?
[2-bromo-6-methoxy-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 284.07 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-methoxy-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 171019511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).