2-[5-bromo-2-(difluoromethoxy)-3-methylphenyl]ethanamine

C10H12BrF2NO — CID 112621644

IUPAC2-[5-bromo-2-(difluoromethoxy)-3-methylphenyl]ethanamine
SMILESCc1cc(Br)cc(CCN)c1OC(F)F
InChIInChI=1S/C10H12BrF2NO/c1-6-4-8(11)5-7(2-3-14)9(6)15-10(12)13/h4-5,10H,2-3,14H2,1H3
InChIKeyOTFVODBLEMVEKL-UHFFFAOYSA-N
MW280.11 g/mol
LogP2.86
Rot. Bonds4

About 2-[5-bromo-2-(difluoromethoxy)-3-methylphenyl]ethanamine

2-[5-bromo-2-(difluoromethoxy)-3-methylphenyl]ethanamine (PubChem CID 112621644) has the molecular formula C10H12BrF2NO and a molecular weight of 280.11 g/mol. Its IUPAC name is 2-[5-bromo-2-(difluoromethoxy)-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-2-(difluoromethoxy)-3-methylphenyl]ethanamine
PubChem CID112621644
Molecular FormulaC10H12BrF2NO
Molecular Weight280.11 g/mol
Exact Mass279.01
IUPAC Name2-[5-bromo-2-(difluoromethoxy)-3-methylphenyl]ethanamine
SMILESCc1cc(Br)cc(CCN)c1OC(F)F
InChIInChI=1S/C10H12BrF2NO/c1-6-4-8(11)5-7(2-3-14)9(6)15-10(12)13/h4-5,10H,2-3,14H2,1H3
InChIKeyOTFVODBLEMVEKL-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-3-methyl-2-pentan-2-yloxyphenyl)ethanamine
CID 107885585
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]propanenitrile
CID 112621566
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]propanoic acid
CID 115962678
2-[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]ethanamine
CID 115962662
2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine
CID 112621515
2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112621624
2-[5-bromo-2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115962640
5-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]pentanenitrile
CID 112621576
2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
CID 115962661
2-[5-bromo-3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 115962621
2-[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]ethanamine
CID 112621647
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N-ethylacetamide
CID 112621650

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(difluoromethoxy)-3-methylphenyl]ethanamine?
The IUPAC name of 2-[5-bromo-2-(difluoromethoxy)-3-methylphenyl]ethanamine (CID 112621644) is 2-[5-bromo-2-(difluoromethoxy)-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[5-bromo-2-(difluoromethoxy)-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[5-bromo-2-(difluoromethoxy)-3-methylphenyl]ethanamine is Cc1cc(Br)cc(CCN)c1OC(F)F.
What is the InChIKey of 2-[5-bromo-2-(difluoromethoxy)-3-methylphenyl]ethanamine?
The InChIKey is OTFVODBLEMVEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO/c1-6-4-8(11)5-7(2-3-14)9(6)15-10(12)13/h4-5,10H,2-3,14H2,1H3.
What are the key properties of 2-[5-bromo-2-(difluoromethoxy)-3-methylphenyl]ethanamine?
2-[5-bromo-2-(difluoromethoxy)-3-methylphenyl]ethanamine has a molecular weight of 280.11 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(difluoromethoxy)-3-methylphenyl]ethanamine is sourced from PubChem (CID 112621644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).