4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol

C12H17ClFNO — CID 64911537

IUPAC4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol
SMILESCC(O)CCNC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C12H17ClFNO/c1-8(16)5-6-15-9(2)11-4-3-10(14)7-12(11)13/h3-4,7-9,15-16H,5-6H2,1-2H3
InChIKeyFPFKFLNZBOAPAE-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.90
Rot. Bonds5

About 4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol

4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol (PubChem CID 64911537) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol
PubChem CID64911537
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol
SMILESCC(O)CCNC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C12H17ClFNO/c1-8(16)5-6-15-9(2)11-4-3-10(14)7-12(11)13/h3-4,7-9,15-16H,5-6H2,1-2H3
InChIKeyFPFKFLNZBOAPAE-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867
4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol
CID 64912368
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol
CID 66175056
1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780933
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 115891014
1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103783021
1-(2-chloro-4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 113348932
2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol
CID 43776200
N-[1-(2-chloro-4-fluorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 43768220
4-[(2-chloro-4-fluorophenyl)methylamino]butan-2-ol
CID 64913736
4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol
CID 82964342

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol?
The IUPAC name of 4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol (CID 64911537) is 4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol.
What is the SMILES notation for 4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol?
The canonical SMILES for 4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol is CC(O)CCNC(C)c1ccc(F)cc1Cl.
What is the InChIKey of 4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol?
The InChIKey is FPFKFLNZBOAPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-8(16)5-6-15-9(2)11-4-3-10(14)7-12(11)13/h3-4,7-9,15-16H,5-6H2,1-2H3.
What are the key properties of 4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol?
4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol has a molecular weight of 245.72 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol is sourced from PubChem (CID 64911537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).