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

C12H17ClFNO — CID 43771126

IUPAC2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol
SMILESCCC(CO)NC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C12H17ClFNO/c1-3-10(7-16)15-8(2)11-5-4-9(14)6-12(11)13/h4-6,8,10,15-16H,3,7H2,1-2H3
InChIKeyWOZYMVYGZQGCLO-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.90
Rot. Bonds5

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

2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol (PubChem CID 43771126) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol
PubChem CID43771126
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol
SMILESCCC(CO)NC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C12H17ClFNO/c1-3-10(7-16)15-8(2)11-5-4-9(14)6-12(11)13/h4-6,8,10,15-16H,3,7H2,1-2H3
InChIKeyWOZYMVYGZQGCLO-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

3-[1-(2-chloro-4-fluorophenyl)ethylamino]pentan-1-ol
CID 113262026
(2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol
CID 103922371
5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol
CID 63064953
4-fluoro-2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]phenol
CID 104980959
(2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol
CID 103922444
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43758401
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867
3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol
CID 66175056
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766668
1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103783021
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755948

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol?
The IUPAC name of 2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol (CID 43771126) is 2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol.
What is the SMILES notation for 2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol?
The canonical SMILES for 2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol is CCC(CO)NC(C)c1ccc(F)cc1Cl.
What is the InChIKey of 2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol?
The InChIKey is WOZYMVYGZQGCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-3-10(7-16)15-8(2)11-5-4-9(14)6-12(11)13/h4-6,8,10,15-16H,3,7H2,1-2H3.
What are the key properties of 2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol?
2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-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 2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 43771126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).