1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol

C12H18FNO2 — CID 82216731

IUPAC1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCc1cc(C(O)CN(C)CCO)ccc1F
InChIInChI=1S/C12H18FNO2/c1-9-7-10(3-4-11(9)13)12(16)8-14(2)5-6-15/h3-4,7,12,15-16H,5-6,8H2,1-2H3
InChIKeyOIRPKXJTQQUATF-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.09
Rot. Bonds5

About 1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol

1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol (PubChem CID 82216731) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
PubChem CID82216731
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCc1cc(C(O)CN(C)CCO)ccc1F
InChIInChI=1S/C12H18FNO2/c1-9-7-10(3-4-11(9)13)12(16)8-14(2)5-6-15/h3-4,7,12,15-16H,5-6,8H2,1-2H3
InChIKeyOIRPKXJTQQUATF-UHFFFAOYSA-N
XLogP1.09
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxyethyl(methyl)amino]-1-(3-methyl-4-nitrophenyl)ethanol
CID 70955077
2-[[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
CID 82215354
(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268
2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 82217071
1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 60929106
2-[2-hydroxyethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217026
4-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]benzonitrile
CID 60961038
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 63410710
1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol
CID 114200460
3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 82073429
1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol
CID 55095039

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol (CID 82216731) is 1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol is Cc1cc(C(O)CN(C)CCO)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol?
The InChIKey is OIRPKXJTQQUATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-9-7-10(3-4-11(9)13)12(16)8-14(2)5-6-15/h3-4,7,12,15-16H,5-6,8H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol?
1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol has a molecular weight of 227.28 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol is sourced from PubChem (CID 82216731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).