2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol

C12H17F2NO2 — CID 114094254

IUPAC2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO2/c1-8(15-10(6-16)7-17-2)11-4-3-9(13)5-12(11)14/h3-5,8,10,15-16H,6-7H2,1-2H3
InChIKeyVWFCVJOVWWOEDS-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.62
Rot. Bonds6

About 2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol

2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol (PubChem CID 114094254) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol
PubChem CID114094254
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO2/c1-8(15-10(6-16)7-17-2)11-4-3-9(13)5-12(11)14/h3-5,8,10,15-16H,6-7H2,1-2H3
InChIKeyVWFCVJOVWWOEDS-UHFFFAOYSA-N
XLogP1.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol
CID 113261939
N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191889
(2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol
CID 103922371
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 43177273
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43758401
5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol
CID 63064953
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 115704341
N-[1-(2,4-difluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 103775814
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol
CID 43771126
(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
CID 93082624

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol (CID 114094254) is 2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol is COCC(CO)NC(C)c1ccc(F)cc1F.
What is the InChIKey of 2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol?
The InChIKey is VWFCVJOVWWOEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-8(15-10(6-16)7-17-2)11-4-3-9(13)5-12(11)14/h3-5,8,10,15-16H,6-7H2,1-2H3.
What are the key properties of 2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol?
2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol has a molecular weight of 245.27 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol is sourced from PubChem (CID 114094254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).