4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol

C12H17F2NO2 — CID 64804927

IUPAC4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol
SMILESCCNC(CO)CCOc1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO2/c1-2-15-10(8-16)5-6-17-12-4-3-9(13)7-11(12)14/h3-4,7,10,15-16H,2,5-6,8H2,1H3
InChIKeyCMKDZEROMMONOA-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.70
Rot. Bonds7

About 4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol

4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol (PubChem CID 64804927) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol
PubChem CID64804927
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol
SMILESCCNC(CO)CCOc1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO2/c1-2-15-10(8-16)5-6-17-12-4-3-9(13)7-11(12)14/h3-4,7,10,15-16H,2,5-6,8H2,1H3
InChIKeyCMKDZEROMMONOA-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol
CID 64803462
4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol
CID 64809311
2-(ethylamino)-4-naphthalen-1-yloxybutan-1-ol
CID 22754998
4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650673
2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
CID 64810580
methyl 4-(2,4-difluorophenoxy)-2-(methylamino)butanoate
CID 63039133
6-(2,4-difluorophenoxy)hexan-3-amine
CID 106800648
N-[2-(2,4-difluorophenoxy)ethyl]-3-methylbutan-2-amine
CID 55088305
N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine
CID 63065689
N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine
CID 43285081
2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol
CID 43284900
4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine
CID 63071046

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol?
The IUPAC name of 4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol (CID 64804927) is 4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol?
The canonical SMILES for 4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol is CCNC(CO)CCOc1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol?
The InChIKey is CMKDZEROMMONOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-2-15-10(8-16)5-6-17-12-4-3-9(13)7-11(12)14/h3-4,7,10,15-16H,2,5-6,8H2,1H3.
What are the key properties of 4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol?
4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol has a molecular weight of 245.27 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol is sourced from PubChem (CID 64804927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).