2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol

C13H20FNO2 — CID 113453837

IUPAC2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol
SMILESCOc1cccc(CN(CCO)C(C)C)c1F
InChIInChI=1S/C13H20FNO2/c1-10(2)15(7-8-16)9-11-5-4-6-12(17-3)13(11)14/h4-6,10,16H,7-9H2,1-3H3
InChIKeyWSLGFPXSTOBBQJ-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.04
Rot. Bonds6

About 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol

2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol (PubChem CID 113453837) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol
PubChem CID113453837
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol
SMILESCOc1cccc(CN(CCO)C(C)C)c1F
InChIInChI=1S/C13H20FNO2/c1-10(2)15(7-8-16)9-11-5-4-6-12(17-3)13(11)14/h4-6,10,16H,7-9H2,1-3H3
InChIKeyWSLGFPXSTOBBQJ-UHFFFAOYSA-N
XLogP2.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]butanoic acid
CID 104792716
methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate
CID 113453832
2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol
CID 62022111
2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol
CID 62021731
2-[(5-fluoro-2-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 115970192
3-[(2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60833930
2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 60696434
2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-6-methylphenol
CID 115903809
4-amino-1-(2-fluoro-3-methoxyphenyl)-3-methylpentan-2-one
CID 116612356
1-[3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-4-methoxyphenyl]ethanone
CID 60691475
2-chloro-6-[[2-hydroxyethyl(propan-2-yl)amino]methyl]phenol
CID 115903812
2-[(4-fluorophenyl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 110932160

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol (CID 113453837) is 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol is COc1cccc(CN(CCO)C(C)C)c1F.
What is the InChIKey of 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol?
The InChIKey is WSLGFPXSTOBBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-10(2)15(7-8-16)9-11-5-4-6-12(17-3)13(11)14/h4-6,10,16H,7-9H2,1-3H3.
What are the key properties of 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol?
2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol has a molecular weight of 241.31 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 113453837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).