1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-2-methylpropan-2-amine

C12H17F2NO — CID 117330478

IUPAC1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-2-methylpropan-2-amine
SMILESCOc1c(F)cc(CF)cc1CC(C)(C)N
InChIInChI=1S/C12H17F2NO/c1-12(2,15)6-9-4-8(7-13)5-10(14)11(9)16-3/h4-5H,6-7,15H2,1-3H3
InChIKeyJUBOJWDFQSALCO-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.58
Rot. Bonds4

About 1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-2-methylpropan-2-amine

1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-2-methylpropan-2-amine (PubChem CID 117330478) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-2-methylpropan-2-amine
PubChem CID117330478
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-2-methylpropan-2-amine
SMILESCOc1c(F)cc(CF)cc1CC(C)(C)N
InChIInChI=1S/C12H17F2NO/c1-12(2,15)6-9-4-8(7-13)5-10(14)11(9)16-3/h4-5H,6-7,15H2,1-3H3
InChIKeyJUBOJWDFQSALCO-UHFFFAOYSA-N
XLogP2.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine
CID 117306665
N-[[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]methyl]hydroxylamine
CID 117291324
1-[3-(fluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-2-amine
CID 117355493
2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-N-methylethanamine
CID 117306682
1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 82648003
6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol
CID 117304251
1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
CID 117413884
1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
CID 117356702
1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117465340
1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]-2-methylpropan-2-amine
CID 117396642
1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117355422
1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117491337

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-2-methylpropan-2-amine (CID 117330478) is 1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-2-methylpropan-2-amine is COc1c(F)cc(CF)cc1CC(C)(C)N.
What is the InChIKey of 1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-2-methylpropan-2-amine?
The InChIKey is JUBOJWDFQSALCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-12(2,15)6-9-4-8(7-13)5-10(14)11(9)16-3/h4-5H,6-7,15H2,1-3H3.
What are the key properties of 1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-2-methylpropan-2-amine?
1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-2-methylpropan-2-amine has a molecular weight of 229.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 117330478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).