2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine

C11H15F2NO — CID 117306665

IUPAC2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine
SMILESCOc1c(F)cc(CF)cc1C(C)(C)N
InChIInChI=1S/C11H15F2NO/c1-11(2,14)8-4-7(6-12)5-9(13)10(8)15-3/h4-5H,6,14H2,1-3H3
InChIKeyRKIBWUWWGFCHRV-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.50
Rot. Bonds3

About 2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine

2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine (PubChem CID 117306665) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine
PubChem CID117306665
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine
SMILESCOc1c(F)cc(CF)cc1C(C)(C)N
InChIInChI=1S/C11H15F2NO/c1-11(2,14)8-4-7(6-12)5-9(13)10(8)15-3/h4-5H,6,14H2,1-3H3
InChIKeyRKIBWUWWGFCHRV-UHFFFAOYSA-N
XLogP2.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-2-methylpropan-2-amine
CID 117330478
2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine
CID 117377712
2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine
CID 117449379
2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine
CID 84776186
2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine
CID 117311862
4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine
CID 117350162
1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone
CID 84669284
2-(3-chloro-5-ethyl-2-methoxyphenyl)propan-2-amine
CID 117327991
3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid
CID 84670427
N-[[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]methyl]hydroxylamine
CID 117291324
2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372512
2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-N-methylethanamine
CID 117306682

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine?
The IUPAC name of 2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine (CID 117306665) is 2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine.
What is the SMILES notation for 2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine?
The canonical SMILES for 2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine is COc1c(F)cc(CF)cc1C(C)(C)N.
What is the InChIKey of 2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine?
The InChIKey is RKIBWUWWGFCHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-11(2,14)8-4-7(6-12)5-9(13)10(8)15-3/h4-5H,6,14H2,1-3H3.
What are the key properties of 2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine?
2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine has a molecular weight of 215.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine is sourced from PubChem (CID 117306665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).