3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine

C13H20FNO — CID 104794636

IUPAC3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)Cc1cccc(OC)c1F
InChIInChI=1S/C13H20FNO/c1-13(2,9-15-3)8-10-6-5-7-11(16-4)12(10)14/h5-7,15H,8-9H2,1-4H3
InChIKeyGDZMZJRHYPEASC-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.62
Rot. Bonds5

About 3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine

3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine (PubChem CID 104794636) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
PubChem CID104794636
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)Cc1cccc(OC)c1F
InChIInChI=1S/C13H20FNO/c1-13(2,9-15-3)8-10-6-5-7-11(16-4)12(10)14/h5-7,15H,8-9H2,1-4H3
InChIKeyGDZMZJRHYPEASC-UHFFFAOYSA-N
XLogP2.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine
CID 62724113
N-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbut-3-en-1-amine
CID 102641411
2-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-3-oxopropanoic acid
CID 114900026
3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol
CID 104793017
1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 104791866
2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 104794761
2-[(2-fluoro-3-methoxyphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 104794766
2-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutanenitrile
CID 104795340
1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol
CID 104793000
2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine
CID 113453864
2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol
CID 113453954
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine (CID 104794636) is 3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine is CNCC(C)(C)Cc1cccc(OC)c1F.
What is the InChIKey of 3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is GDZMZJRHYPEASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-13(2,9-15-3)8-10-6-5-7-11(16-4)12(10)14/h5-7,15H,8-9H2,1-4H3.
What are the key properties of 3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine?
3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 104794636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).