2-ethyl-2-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propane-1,3-diol

C14H22FNO3 — CID 103935667

IUPAC2-ethyl-2-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NC(C)c1ccc(OC)cc1F
InChIInChI=1S/C14H22FNO3/c1-4-14(8-17,9-18)16-10(2)12-6-5-11(19-3)7-13(12)15/h5-7,10,16-18H,4,8-9H2,1-3H3
InChIKeyFEXICLMCOHTLKQ-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.62
Rot. Bonds7

About 2-ethyl-2-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propane-1,3-diol

2-ethyl-2-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propane-1,3-diol (PubChem CID 103935667) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-ethyl-2-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propane-1,3-diol
PubChem CID103935667
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name2-ethyl-2-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NC(C)c1ccc(OC)cc1F
InChIInChI=1S/C14H22FNO3/c1-4-14(8-17,9-18)16-10(2)12-6-5-11(19-3)7-13(12)15/h5-7,10,16-18H,4,8-9H2,1-3H3
InChIKeyFEXICLMCOHTLKQ-UHFFFAOYSA-N
XLogP1.62
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 65103428
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol
CID 113492017
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609
2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol
CID 103935669
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 55108756
1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103778620
2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide
CID 113341083
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
1-N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 103395656
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]cyclopentanamine
CID 43756493
N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 60894649
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propane-1,3-diol (CID 103935667) is 2-ethyl-2-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propane-1,3-diol is CCC(CO)(CO)NC(C)c1ccc(OC)cc1F.
What is the InChIKey of 2-ethyl-2-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propane-1,3-diol?
The InChIKey is FEXICLMCOHTLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-4-14(8-17,9-18)16-10(2)12-6-5-11(19-3)7-13(12)15/h5-7,10,16-18H,4,8-9H2,1-3H3.
What are the key properties of 2-ethyl-2-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propane-1,3-diol?
2-ethyl-2-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propane-1,3-diol has a molecular weight of 271.33 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propane-1,3-diol is sourced from PubChem (CID 103935667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).