5-[2-fluoro-1-(methylamino)propan-2-yl]-2-methoxyphenol

C11H16FNO2 — CID 105425995

IUPAC5-[2-fluoro-1-(methylamino)propan-2-yl]-2-methoxyphenol
SMILESCNCC(C)(F)c1ccc(OC)c(O)c1
InChIInChI=1S/C11H16FNO2/c1-11(12,7-13-2)8-4-5-10(15-3)9(14)6-8/h4-6,13-14H,7H2,1-3H3
InChIKeyIKJOALZFXXCGHL-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.80
Rot. Bonds4

About 5-[2-fluoro-1-(methylamino)propan-2-yl]-2-methoxyphenol

5-[2-fluoro-1-(methylamino)propan-2-yl]-2-methoxyphenol (PubChem CID 105425995) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 5-[2-fluoro-1-(methylamino)propan-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[2-fluoro-1-(methylamino)propan-2-yl]-2-methoxyphenol
PubChem CID105425995
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name5-[2-fluoro-1-(methylamino)propan-2-yl]-2-methoxyphenol
SMILESCNCC(C)(F)c1ccc(OC)c(O)c1
InChIInChI=1S/C11H16FNO2/c1-11(12,7-13-2)8-4-5-10(15-3)9(14)6-8/h4-6,13-14H,7H2,1-3H3
InChIKeyIKJOALZFXXCGHL-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine
CID 105424304
5-(2-amino-1,1-difluoroethyl)-2-methoxyphenol
CID 105425996
2-methoxy-5-(2-methylpentan-2-yl)phenol
CID 23093288
4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol
CID 105425938
2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine
CID 82081284
4-(2-fluoropropan-2-yl)-2-methoxyphenol
CID 84659603
2-(3-hydroxy-4-methoxyphenyl)-2,3-dimethylbutanoic acid
CID 83842745
5-(ethylamino)-2-methoxyphenol
CID 43743866
3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol
CID 105425939
2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117373100
2-methoxy-5-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 110841513
4-(1-amino-2-fluoropropan-2-yl)benzene-1,2-diol
CID 105425989

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-1-(methylamino)propan-2-yl]-2-methoxyphenol?
The IUPAC name of 5-[2-fluoro-1-(methylamino)propan-2-yl]-2-methoxyphenol (CID 105425995) is 5-[2-fluoro-1-(methylamino)propan-2-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[2-fluoro-1-(methylamino)propan-2-yl]-2-methoxyphenol?
The canonical SMILES for 5-[2-fluoro-1-(methylamino)propan-2-yl]-2-methoxyphenol is CNCC(C)(F)c1ccc(OC)c(O)c1.
What is the InChIKey of 5-[2-fluoro-1-(methylamino)propan-2-yl]-2-methoxyphenol?
The InChIKey is IKJOALZFXXCGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-11(12,7-13-2)8-4-5-10(15-3)9(14)6-8/h4-6,13-14H,7H2,1-3H3.
What are the key properties of 5-[2-fluoro-1-(methylamino)propan-2-yl]-2-methoxyphenol?
5-[2-fluoro-1-(methylamino)propan-2-yl]-2-methoxyphenol has a molecular weight of 213.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-1-(methylamino)propan-2-yl]-2-methoxyphenol is sourced from PubChem (CID 105425995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).