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

C13H19ClFNO — CID 113262026

IUPAC3-[1-(2-chloro-4-fluorophenyl)ethylamino]pentan-1-ol
SMILESCCC(CCO)NC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C13H19ClFNO/c1-3-11(6-7-17)16-9(2)12-5-4-10(15)8-13(12)14/h4-5,8-9,11,16-17H,3,6-7H2,1-2H3
InChIKeyGHPZDKRASKORRZ-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.29
Rot. Bonds6

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

3-[1-(2-chloro-4-fluorophenyl)ethylamino]pentan-1-ol (PubChem CID 113262026) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 3-[1-(2-chloro-4-fluorophenyl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[1-(2-chloro-4-fluorophenyl)ethylamino]pentan-1-ol
PubChem CID113262026
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name3-[1-(2-chloro-4-fluorophenyl)ethylamino]pentan-1-ol
SMILESCCC(CCO)NC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C13H19ClFNO/c1-3-11(6-7-17)16-9(2)12-5-4-10(15)8-13(12)14/h4-5,8-9,11,16-17H,3,6-7H2,1-2H3
InChIKeyGHPZDKRASKORRZ-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

2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol
CID 43771126
3-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol
CID 115879368
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867
(2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol
CID 103922371
5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol
CID 63064953
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43758401
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897
3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol
CID 113261939
N-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine
CID 82773338
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766668
4-fluoro-2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]phenol
CID 104980959
4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol
CID 64911537

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-4-fluorophenyl)ethylamino]pentan-1-ol?
The IUPAC name of 3-[1-(2-chloro-4-fluorophenyl)ethylamino]pentan-1-ol (CID 113262026) is 3-[1-(2-chloro-4-fluorophenyl)ethylamino]pentan-1-ol.
What is the SMILES notation for 3-[1-(2-chloro-4-fluorophenyl)ethylamino]pentan-1-ol?
The canonical SMILES for 3-[1-(2-chloro-4-fluorophenyl)ethylamino]pentan-1-ol is CCC(CCO)NC(C)c1ccc(F)cc1Cl.
What is the InChIKey of 3-[1-(2-chloro-4-fluorophenyl)ethylamino]pentan-1-ol?
The InChIKey is GHPZDKRASKORRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO/c1-3-11(6-7-17)16-9(2)12-5-4-10(15)8-13(12)14/h4-5,8-9,11,16-17H,3,6-7H2,1-2H3.
What are the key properties of 3-[1-(2-chloro-4-fluorophenyl)ethylamino]pentan-1-ol?
3-[1-(2-chloro-4-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-(2-chloro-4-fluorophenyl)ethylamino]pentan-1-ol is sourced from PubChem (CID 113262026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).