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

C15H23ClFNO — CID 83070022

IUPAC1-[1-(4-chloro-3-fluorophenyl)ethylamino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H23ClFNO/c1-10(2)8-15(4,19)9-18-11(3)12-5-6-13(16)14(17)7-12/h5-7,10-11,18-19H,8-9H2,1-4H3
InChIKeyFVKUUBMFJWCSGD-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.93
Rot. Bonds6

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

1-[1-(4-chloro-3-fluorophenyl)ethylamino]-2,4-dimethylpentan-2-ol (PubChem CID 83070022) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-[1-(4-chloro-3-fluorophenyl)ethylamino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(4-chloro-3-fluorophenyl)ethylamino]-2,4-dimethylpentan-2-ol
PubChem CID83070022
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-[1-(4-chloro-3-fluorophenyl)ethylamino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H23ClFNO/c1-10(2)8-15(4,19)9-18-11(3)12-5-6-13(16)14(17)7-12/h5-7,10-11,18-19H,8-9H2,1-4H3
InChIKeyFVKUUBMFJWCSGD-UHFFFAOYSA-N
XLogP3.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

4-[1-(4-chloro-3-fluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 113345013
1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 82993925
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83141596
1-[1-(3,4-dimethoxyphenyl)ethylamino]-2,4-dimethylpentan-2-ol
CID 66179353
4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 107989597
4-[1-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]-2-methoxyphenol
CID 66179916
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
CID 130054500
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2,4-dimethylpentan-2-ol
CID 66179772
1-(4-chloro-3-fluorophenyl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115879137
5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol
CID 103914694
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 103906173
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide
CID 83069532

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-3-fluorophenyl)ethylamino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[1-(4-chloro-3-fluorophenyl)ethylamino]-2,4-dimethylpentan-2-ol (CID 83070022) is 1-[1-(4-chloro-3-fluorophenyl)ethylamino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[1-(4-chloro-3-fluorophenyl)ethylamino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[1-(4-chloro-3-fluorophenyl)ethylamino]-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNC(C)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-[1-(4-chloro-3-fluorophenyl)ethylamino]-2,4-dimethylpentan-2-ol?
The InChIKey is FVKUUBMFJWCSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-10(2)8-15(4,19)9-18-11(3)12-5-6-13(16)14(17)7-12/h5-7,10-11,18-19H,8-9H2,1-4H3.
What are the key properties of 1-[1-(4-chloro-3-fluorophenyl)ethylamino]-2,4-dimethylpentan-2-ol?
1-[1-(4-chloro-3-fluorophenyl)ethylamino]-2,4-dimethylpentan-2-ol has a molecular weight of 287.81 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-3-fluorophenyl)ethylamino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 83070022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).