4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol

C12H17F2NO — CID 64912368

IUPAC4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol
SMILESCC(O)CCNC(C)c1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO/c1-8(16)5-6-15-9(2)11-7-10(13)3-4-12(11)14/h3-4,7-9,15-16H,5-6H2,1-2H3
InChIKeyADUKOGZGSCRPJO-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.39
Rot. Bonds5

About 4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol

4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol (PubChem CID 64912368) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol
PubChem CID64912368
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol
SMILESCC(O)CCNC(C)c1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO/c1-8(16)5-6-15-9(2)11-7-10(13)3-4-12(11)14/h3-4,7-9,15-16H,5-6H2,1-2H3
InChIKeyADUKOGZGSCRPJO-UHFFFAOYSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol
CID 64911537
N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine
CID 115325076
N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 55176100
1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 63983699
N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide
CID 79201225
N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102977960
2-[1-(2,5-difluorophenyl)ethylamino]acetamide
CID 16773661
N-[1-(2,5-difluorophenyl)ethyl]pent-3-yn-1-amine
CID 104758066
4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol
CID 82964342
(2S)-4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butan-2-ol
CID 96787699
1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol?
The IUPAC name of 4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol (CID 64912368) is 4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol.
What is the SMILES notation for 4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol?
The canonical SMILES for 4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol is CC(O)CCNC(C)c1cc(F)ccc1F.
What is the InChIKey of 4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol?
The InChIKey is ADUKOGZGSCRPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-8(16)5-6-15-9(2)11-7-10(13)3-4-12(11)14/h3-4,7-9,15-16H,5-6H2,1-2H3.
What are the key properties of 4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol?
4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol has a molecular weight of 229.27 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol is sourced from PubChem (CID 64912368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).