2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol

C12H18FNO2 — CID 64804368

IUPAC2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol
SMILESCCNC(C)(CO)COc1cccc(F)c1
InChIInChI=1S/C12H18FNO2/c1-3-14-12(2,8-15)9-16-11-6-4-5-10(13)7-11/h4-7,14-15H,3,8-9H2,1-2H3
InChIKeyGVLAFGQZQNNGFJ-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.57
Rot. Bonds6

About 2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol

2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol (PubChem CID 64804368) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol
PubChem CID64804368
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol
SMILESCCNC(C)(CO)COc1cccc(F)c1
InChIInChI=1S/C12H18FNO2/c1-3-14-12(2,8-15)9-16-11-6-4-5-10(13)7-11/h4-7,14-15H,3,8-9H2,1-2H3
InChIKeyGVLAFGQZQNNGFJ-UHFFFAOYSA-N
XLogP1.57
TPSA41.49 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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-2-methyl-3-(3-propan-2-ylphenoxy)propan-1-ol
CID 64802859
2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol
CID 64804172
3-(3-tert-butylphenoxy)-2-methyl-2-(propylamino)propan-1-ol
CID 64806675
2-(ethylamino)-3-[4-(2-hydroxyethyl)phenoxy]-2-methylpropan-1-ol
CID 107710127
3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol
CID 64803556
2-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 82075160
2-(ethylamino)-2-methyl-3-(2-phenoxyethoxy)propan-1-ol
CID 64803815
5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64810959
3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide
CID 79626955
6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804186
3-(3-fluorophenoxy)-2,2-dimethylpropanamide
CID 82078068
2-(ethylamino)-N-[2-(3-fluorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 62836449

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol?
The IUPAC name of 2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol (CID 64804368) is 2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol?
The canonical SMILES for 2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol is CCNC(C)(CO)COc1cccc(F)c1.
What is the InChIKey of 2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol?
The InChIKey is GVLAFGQZQNNGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-3-14-12(2,8-15)9-16-11-6-4-5-10(13)7-11/h4-7,14-15H,3,8-9H2,1-2H3.
What are the key properties of 2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol?
2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol has a molecular weight of 227.28 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol is sourced from PubChem (CID 64804368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).