1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine

C12H18FNO — CID 117302010

IUPAC1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine
SMILESCOc1cccc(CF)c1CC(C)(C)N
InChIInChI=1S/C12H18FNO/c1-12(2,14)7-10-9(8-13)5-4-6-11(10)15-3/h4-6H,7-8,14H2,1-3H3
InChIKeyHSPOWUQUEOMYBC-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.44
Rot. Bonds4

About 1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine

1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine (PubChem CID 117302010) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine
PubChem CID117302010
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine
SMILESCOc1cccc(CF)c1CC(C)(C)N
InChIInChI=1S/C12H18FNO/c1-12(2,14)7-10-9(8-13)5-4-6-11(10)15-3/h4-6H,7-8,14H2,1-3H3
InChIKeyHSPOWUQUEOMYBC-UHFFFAOYSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpropan-2-amine
CID 117302009
2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile
CID 84767792
1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117386547
1-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpropan-2-amine
CID 117288691
1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one
CID 84666859
1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327192
3-[2-(fluoromethyl)-6-methoxyphenyl]propanoic acid
CID 117302932
1-[3-(fluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-2-amine
CID 117355493
1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117355423
1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine
CID 104793318
1-[2-(fluoromethyl)-6-methoxyphenyl]cyclopropan-1-ol
CID 117286177
2-(2-amino-2-methylpropyl)-3-methoxy-6-methylphenol
CID 117299270

Frequently Asked Questions

What is the IUPAC name of 1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine (CID 117302010) is 1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine is COc1cccc(CF)c1CC(C)(C)N.
What is the InChIKey of 1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine?
The InChIKey is HSPOWUQUEOMYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-12(2,14)7-10-9(8-13)5-4-6-11(10)15-3/h4-6H,7-8,14H2,1-3H3.
What are the key properties of 1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine?
1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 117302010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).