3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol

C12H18FNO2 — CID 115122383

IUPAC3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol
SMILESCN(CCc1ccc(F)cc1)CC(O)CO
InChIInChI=1S/C12H18FNO2/c1-14(8-12(16)9-15)7-6-10-2-4-11(13)5-3-10/h2-5,12,15-16H,6-9H2,1H3
InChIKeyJVHSSZRSAAFFCA-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.65
Rot. Bonds6

About 3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol

3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol (PubChem CID 115122383) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol
PubChem CID115122383
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol
SMILESCN(CCc1ccc(F)cc1)CC(O)CO
InChIInChI=1S/C12H18FNO2/c1-14(8-12(16)9-15)7-6-10-2-4-11(13)5-3-10/h2-5,12,15-16H,6-9H2,1H3
InChIKeyJVHSSZRSAAFFCA-UHFFFAOYSA-N
XLogP0.65
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol
CID 115121707
1-[2-(4-fluorophenyl)ethyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110903446
2-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254681
N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202816
3-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propane-1,2-diol
CID 115122415
1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol
CID 112561328
1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115121708
1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine
CID 115199612
4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol
CID 117039279
3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol
CID 115122416
1-[bis(4-fluorophenyl)methoxy]-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propan-2-ol
CID 4852479
3-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propane-1,2-diol
CID 115122472

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol?
The IUPAC name of 3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol (CID 115122383) is 3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol is CN(CCc1ccc(F)cc1)CC(O)CO.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol?
The InChIKey is JVHSSZRSAAFFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-14(8-12(16)9-15)7-6-10-2-4-11(13)5-3-10/h2-5,12,15-16H,6-9H2,1H3.
What are the key properties of 3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol?
3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol has a molecular weight of 227.28 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol is sourced from PubChem (CID 115122383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).