3-fluoro-3-(2-methoxyphenyl)-2,2-dimethylbutan-1-amine

C13H20FNO — CID 105483183

IUPAC3-fluoro-3-(2-methoxyphenyl)-2,2-dimethylbutan-1-amine
SMILESCOc1ccccc1C(C)(F)C(C)(C)CN
InChIInChI=1S/C13H20FNO/c1-12(2,9-15)13(3,14)10-7-5-6-8-11(10)16-4/h5-8H,9,15H2,1-4H3
InChIKeyQAJOVXXSGTUGLR-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.86
Rot. Bonds4

About 3-fluoro-3-(2-methoxyphenyl)-2,2-dimethylbutan-1-amine

3-fluoro-3-(2-methoxyphenyl)-2,2-dimethylbutan-1-amine (PubChem CID 105483183) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-fluoro-3-(2-methoxyphenyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(2-methoxyphenyl)-2,2-dimethylbutan-1-amine
PubChem CID105483183
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name3-fluoro-3-(2-methoxyphenyl)-2,2-dimethylbutan-1-amine
SMILESCOc1ccccc1C(C)(F)C(C)(C)CN
InChIInChI=1S/C13H20FNO/c1-12(2,9-15)13(3,14)10-7-5-6-8-11(10)16-4/h5-8H,9,15H2,1-4H3
InChIKeyQAJOVXXSGTUGLR-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-2-(2-methoxyphenyl)propan-1-amine
CID 84718782
3-fluoro-3-(2-fluorophenyl)-2,2-dimethylbutan-1-amine
CID 105466737
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
O-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]hydroxylamine
CID 115022771
(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
N-[difluoro-(2-methoxyphenyl)methyl]-N-ethylethanamine
CID 10082529
2-(5-methoxynaphthalen-1-yl)-2-methylpropan-1-amine
CID 105487005
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
(E)-3-[2-(1,1-difluoroethyl)-6-methoxyphenyl]prop-2-en-1-amine
CID 117326640
4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113389409

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-methoxyphenyl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 3-fluoro-3-(2-methoxyphenyl)-2,2-dimethylbutan-1-amine (CID 105483183) is 3-fluoro-3-(2-methoxyphenyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 3-fluoro-3-(2-methoxyphenyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 3-fluoro-3-(2-methoxyphenyl)-2,2-dimethylbutan-1-amine is COc1ccccc1C(C)(F)C(C)(C)CN.
What is the InChIKey of 3-fluoro-3-(2-methoxyphenyl)-2,2-dimethylbutan-1-amine?
The InChIKey is QAJOVXXSGTUGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-12(2,9-15)13(3,14)10-7-5-6-8-11(10)16-4/h5-8H,9,15H2,1-4H3.
What are the key properties of 3-fluoro-3-(2-methoxyphenyl)-2,2-dimethylbutan-1-amine?
3-fluoro-3-(2-methoxyphenyl)-2,2-dimethylbutan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-methoxyphenyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 105483183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).