2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol

C14H20FNO2 — CID 64804172

IUPAC2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol
SMILESCCNC(CO)(COc1cccc(F)c1)C1CC1
InChIInChI=1S/C14H20FNO2/c1-2-16-14(9-17,11-6-7-11)10-18-13-5-3-4-12(15)8-13/h3-5,8,11,16-17H,2,6-7,9-10H2,1H3
InChIKeyIFTWSKNPZNBION-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.96
Rot. Bonds7

About 2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol

2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol (PubChem CID 64804172) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol
PubChem CID64804172
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol
SMILESCCNC(CO)(COc1cccc(F)c1)C1CC1
InChIInChI=1S/C14H20FNO2/c1-2-16-14(9-17,11-6-7-11)10-18-13-5-3-4-12(15)8-13/h3-5,8,11,16-17H,2,6-7,9-10H2,1H3
InChIKeyIFTWSKNPZNBION-UHFFFAOYSA-N
XLogP1.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 64804368
2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol
CID 64806267
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(hydroxymethyl)phenoxy]propan-1-ol
CID 64810413
2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol
CID 102988099
2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile
CID 63907147
1,3-diethyl-2-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide
CID 110926794
3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide
CID 79626955
2-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 82075160
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol
CID 106810534
2-(ethylamino)-N-[2-(3-fluorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 62836449
3-(3-fluorophenoxy)-2,2-dimethylpropanamide
CID 82078068

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol (CID 64804172) is 2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol is CCNC(CO)(COc1cccc(F)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol?
The InChIKey is IFTWSKNPZNBION-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-2-16-14(9-17,11-6-7-11)10-18-13-5-3-4-12(15)8-13/h3-5,8,11,16-17H,2,6-7,9-10H2,1H3.
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol?
2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol has a molecular weight of 253.32 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol is sourced from PubChem (CID 64804172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).