2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol

C12H18FNO3 — CID 112700459

IUPAC2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
SMILESCOc1cccc(F)c1C(C)NC(CO)CO
InChIInChI=1S/C12H18FNO3/c1-8(14-9(6-15)7-16)12-10(13)4-3-5-11(12)17-2/h3-5,8-9,14-16H,6-7H2,1-2H3
InChIKeyVEFNHWBCMDFZND-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.84
Rot. Bonds6

About 2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol

2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol (PubChem CID 112700459) has the molecular formula C12H18FNO3 and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
PubChem CID112700459
Molecular FormulaC12H18FNO3
Molecular Weight243.28 g/mol
Exact Mass243.13
IUPAC Name2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
SMILESCOc1cccc(F)c1C(C)NC(CO)CO
InChIInChI=1S/C12H18FNO3/c1-8(14-9(6-15)7-16)12-10(13)4-3-5-11(12)17-2/h3-5,8-9,14-16H,6-7H2,1-2H3
InChIKeyVEFNHWBCMDFZND-UHFFFAOYSA-N
XLogP0.84
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine
CID 112695750
3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol
CID 103786462
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 112700466
1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol
CID 146455332
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
methyl 2-[[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetate
CID 97334412
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 115707420
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
CID 115901891
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111474132
4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 115916765

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol?
The IUPAC name of 2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol (CID 112700459) is 2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol.
What is the SMILES notation for 2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol?
The canonical SMILES for 2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol is COc1cccc(F)c1C(C)NC(CO)CO.
What is the InChIKey of 2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol?
The InChIKey is VEFNHWBCMDFZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3/c1-8(14-9(6-15)7-16)12-10(13)4-3-5-11(12)17-2/h3-5,8-9,14-16H,6-7H2,1-2H3.
What are the key properties of 2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol?
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol has a molecular weight of 243.28 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol is sourced from PubChem (CID 112700459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).