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

C13H19ClFNO — CID 115879368

IUPAC3-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol
SMILESCCC(CCO)NC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H19ClFNO/c1-3-11(6-7-17)16-9(2)10-4-5-12(14)13(15)8-10/h4-5,8-9,11,16-17H,3,6-7H2,1-2H3
InChIKeyGHTSONGUAHDMPR-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.29
Rot. Bonds6

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

3-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol (PubChem CID 115879368) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 3-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol
PubChem CID115879368
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name3-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol
SMILESCCC(CCO)NC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H19ClFNO/c1-3-11(6-7-17)16-9(2)10-4-5-12(14)13(15)8-10/h4-5,8-9,11,16-17H,3,6-7H2,1-2H3
InChIKeyGHTSONGUAHDMPR-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propan-1-ol
CID 114987165
3-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-methylbutan-1-ol
CID 115879364
N-[1-(4-chloro-3-fluorophenyl)ethyl]propan-2-amine
CID 59146352
3-[1-(2-chloro-4-fluorophenyl)ethylamino]pentan-1-ol
CID 113262026
3-[1-(2-chloro-4-pyridinyl)ethylamino]pentan-1-ol
CID 115723050
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpentan-2-amine
CID 83069690
3-[1-(3,4-difluorophenyl)ethylamino]butan-1-ol
CID 79145040
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 103906173
4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol
CID 113495587
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
CID 130054500
(1S)-1-(4-chloro-3-fluorophenyl)propane-1,3-diol
CID 86696659
(1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 83069629

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol?
The IUPAC name of 3-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol (CID 115879368) is 3-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol.
What is the SMILES notation for 3-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol?
The canonical SMILES for 3-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol is CCC(CCO)NC(C)c1ccc(Cl)c(F)c1.
What is the InChIKey of 3-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol?
The InChIKey is GHTSONGUAHDMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO/c1-3-11(6-7-17)16-9(2)10-4-5-12(14)13(15)8-10/h4-5,8-9,11,16-17H,3,6-7H2,1-2H3.
What are the key properties of 3-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol?
3-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol has a molecular weight of 259.75 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol is sourced from PubChem (CID 115879368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).