1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol

C15H23ClFNO — CID 103783021

IUPAC1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C15H23ClFNO/c1-4-11(5-2)15(19)9-18-10(3)13-7-6-12(17)8-14(13)16/h6-8,10-11,15,18-19H,4-5,9H2,1-3H3
InChIKeyCIZSCKZFDFDXKA-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.93
Rot. Bonds7

About 1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol

1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol (PubChem CID 103783021) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
PubChem CID103783021
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C15H23ClFNO/c1-4-11(5-2)15(19)9-18-10(3)13-7-6-12(17)8-14(13)16/h6-8,10-11,15,18-19H,4-5,9H2,1-3H3
InChIKeyCIZSCKZFDFDXKA-UHFFFAOYSA-N
XLogP3.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,4-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284484
1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284625
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284802
3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol
CID 66175056
2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol
CID 43776200
4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol
CID 64911537
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867
3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol
CID 113261396
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 115891014
(1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol;hydrochloride
CID 171161362
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460624

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol (CID 103783021) is 1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNC(C)c1ccc(F)cc1Cl.
What is the InChIKey of 1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol?
The InChIKey is CIZSCKZFDFDXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-4-11(5-2)15(19)9-18-10(3)13-7-6-12(17)8-14(13)16/h6-8,10-11,15,18-19H,4-5,9H2,1-3H3.
What are the key properties of 1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol?
1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol has a molecular weight of 287.81 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol is sourced from PubChem (CID 103783021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).