3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol

C13H20FNO2 — CID 102876575

IUPAC3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol
SMILESCOc1ccc(CNCC(C)(C)CO)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-13(2,9-16)8-15-7-10-4-5-11(17-3)6-12(10)14/h4-6,15-16H,7-9H2,1-3H3
InChIKeyKOJSDXSZSQSMJF-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.94
Rot. Bonds6

About 3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol

3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol (PubChem CID 102876575) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol
PubChem CID102876575
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol
SMILESCOc1ccc(CNCC(C)(C)CO)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-13(2,9-16)8-15-7-10-4-5-11(17-3)6-12(10)14/h4-6,15-16H,7-9H2,1-3H3
InChIKeyKOJSDXSZSQSMJF-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 106147039
1-[(2-fluoro-4-methoxyphenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 106254304
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 103816354
3-fluoro-N'-hydroxy-4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]benzenecarboximidamide
CID 115360512
N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
CID 102876292
2-[(2-fluoro-4-methoxyphenyl)methylamino]ethylurea
CID 102876604
N-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine
CID 115257878
5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline
CID 115413846
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol
CID 62222408
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625291
5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897564

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol (CID 102876575) is 3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol is COc1ccc(CNCC(C)(C)CO)c(F)c1.
What is the InChIKey of 3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is KOJSDXSZSQSMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-13(2,9-16)8-15-7-10-4-5-11(17-3)6-12(10)14/h4-6,15-16H,7-9H2,1-3H3.
What are the key properties of 3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol?
3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 241.31 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 102876575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).