2-amino-1-(3-bromo-4-fluoro-2-methylphenyl)propan-1-one

C10H11BrFNO — CID 84806362

IUPAC2-amino-1-(3-bromo-4-fluoro-2-methylphenyl)propan-1-one
SMILESCc1c(C(=O)C(C)N)ccc(F)c1Br
InChIInChI=1S/C10H11BrFNO/c1-5-7(10(14)6(2)13)3-4-8(12)9(5)11/h3-4,6H,13H2,1-2H3
InChIKeyKLJPYHHMWXGHAL-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.43
Rot. Bonds2

About 2-amino-1-(3-bromo-4-fluoro-2-methylphenyl)propan-1-one

2-amino-1-(3-bromo-4-fluoro-2-methylphenyl)propan-1-one (PubChem CID 84806362) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 2-amino-1-(3-bromo-4-fluoro-2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-bromo-4-fluoro-2-methylphenyl)propan-1-one
PubChem CID84806362
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name2-amino-1-(3-bromo-4-fluoro-2-methylphenyl)propan-1-one
SMILESCc1c(C(=O)C(C)N)ccc(F)c1Br
InChIInChI=1S/C10H11BrFNO/c1-5-7(10(14)6(2)13)3-4-8(12)9(5)11/h3-4,6H,13H2,1-2H3
InChIKeyKLJPYHHMWXGHAL-UHFFFAOYSA-N
XLogP2.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2-bromo-4-fluorophenyl)propan-1-one
CID 84705510
2-amino-2-(3-bromo-4-fluoro-2-methylphenyl)acetic acid
CID 84806894
2-amino-1-(4-bromo-2-fluoro-5-methylphenyl)propan-1-one
CID 84806363
2-amino-1-(3-hydroxy-2-methylphenyl)propan-1-one
CID 83827997
2-amino-1-(2-amino-4-chlorophenyl)propan-1-one
CID 105451868
2-amino-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-one
CID 84694342
2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one
CID 84814233
2-amino-1-(2-bromo-5-hydroxy-3-methylphenyl)propan-1-one
CID 84805736
2-amino-1-(4-methyl-1,3-benzodioxol-5-yl)propan-1-one
CID 84674987
ethyl 2-bromo-4-fluoro-3-methylbenzoate
CID 131143922
2-amino-1-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-one
CID 84679562
2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 82399071

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromo-4-fluoro-2-methylphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(3-bromo-4-fluoro-2-methylphenyl)propan-1-one (CID 84806362) is 2-amino-1-(3-bromo-4-fluoro-2-methylphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(3-bromo-4-fluoro-2-methylphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(3-bromo-4-fluoro-2-methylphenyl)propan-1-one is Cc1c(C(=O)C(C)N)ccc(F)c1Br.
What is the InChIKey of 2-amino-1-(3-bromo-4-fluoro-2-methylphenyl)propan-1-one?
The InChIKey is KLJPYHHMWXGHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-5-7(10(14)6(2)13)3-4-8(12)9(5)11/h3-4,6H,13H2,1-2H3.
What are the key properties of 2-amino-1-(3-bromo-4-fluoro-2-methylphenyl)propan-1-one?
2-amino-1-(3-bromo-4-fluoro-2-methylphenyl)propan-1-one has a molecular weight of 260.11 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-bromo-4-fluoro-2-methylphenyl)propan-1-one is sourced from PubChem (CID 84806362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).