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

C12H18FNO — CID 117302009

IUPAC1-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpropan-2-amine
SMILESCOc1cccc(CC(C)(C)N)c1CF
InChIInChI=1S/C12H18FNO/c1-12(2,14)7-9-5-4-6-11(15-3)10(9)8-13/h4-6H,7-8,14H2,1-3H3
InChIKeyALNGUARKUUQQCD-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.44
Rot. Bonds4

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

1-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpropan-2-amine (PubChem CID 117302009) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpropan-2-amine
PubChem CID117302009
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpropan-2-amine
SMILESCOc1cccc(CC(C)(C)N)c1CF
InChIInChI=1S/C12H18FNO/c1-12(2,14)7-9-5-4-6-11(15-3)10(9)8-13/h4-6H,7-8,14H2,1-3H3
InChIKeyALNGUARKUUQQCD-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)-6-methoxyphenyl]-2-methylpropan-2-amine
CID 117302010
1-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpropan-2-amine
CID 117288691
2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile
CID 84767792
1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one
CID 84666859
1-(2-ethyl-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347553
1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117302099
1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine
CID 82623586
1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine
CID 117415762
1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine
CID 104793318
3-(2-amino-2-methylpropyl)-4-methoxyaniline
CID 84665627
1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117386547
1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327192

Frequently Asked Questions

What is the IUPAC name of 1-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpropan-2-amine (CID 117302009) is 1-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpropan-2-amine is COc1cccc(CC(C)(C)N)c1CF.
What is the InChIKey of 1-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpropan-2-amine?
The InChIKey is ALNGUARKUUQQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-12(2,14)7-9-5-4-6-11(15-3)10(9)8-13/h4-6H,7-8,14H2,1-3H3.
What are the key properties of 1-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpropan-2-amine?
1-[2-(fluoromethyl)-3-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)-3-methoxyphenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 117302009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).