2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine

C10H12BrF2NO — CID 117449379

IUPAC2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine
SMILESCOc1c(C(C)(C)N)cc(Br)c(F)c1F
InChIInChI=1S/C10H12BrF2NO/c1-10(2,14)5-4-6(11)7(12)8(13)9(5)15-3/h4H,14H2,1-3H3
InChIKeyJKZHWKJRERBAAS-UHFFFAOYSA-N
MW280.11 g/mol
LogP2.93
Rot. Bonds2

About 2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine

2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine (PubChem CID 117449379) has the molecular formula C10H12BrF2NO and a molecular weight of 280.11 g/mol. Its IUPAC name is 2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine
PubChem CID117449379
Molecular FormulaC10H12BrF2NO
Molecular Weight280.11 g/mol
Exact Mass279.01
IUPAC Name2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine
SMILESCOc1c(C(C)(C)N)cc(Br)c(F)c1F
InChIInChI=1S/C10H12BrF2NO/c1-10(2,14)5-4-6(11)7(12)8(13)9(5)15-3/h4H,14H2,1-3H3
InChIKeyJKZHWKJRERBAAS-UHFFFAOYSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2,4-difluoro-3-methoxyphenyl)propan-2-ol
CID 84715079
2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372512
2-(5-bromo-2,3-difluoro-4-methoxyphenyl)propan-2-ol
CID 84715078
2-(3-bromo-2-methoxy-5-propan-2-ylphenyl)propan-2-amine
CID 117461457
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492168
2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine
CID 117306665
4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol
CID 117445518
2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine
CID 117343901
2-(4-bromo-2,3-difluorophenyl)propan-2-amine
CID 117378217
2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine
CID 117465358
6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol
CID 117472979
2-(2-bromo-4,5-dimethoxyphenyl)propan-2-amine
CID 117437704

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine?
The IUPAC name of 2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine (CID 117449379) is 2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine?
The canonical SMILES for 2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine is COc1c(C(C)(C)N)cc(Br)c(F)c1F.
What is the InChIKey of 2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine?
The InChIKey is JKZHWKJRERBAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO/c1-10(2,14)5-4-6(11)7(12)8(13)9(5)15-3/h4H,14H2,1-3H3.
What are the key properties of 2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine?
2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine has a molecular weight of 280.11 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 117449379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).