1-(2-chloro-3-fluorophenyl)-4-(diethylamino)butan-2-ol

C14H21ClFNO — CID 112653492

IUPAC1-(2-chloro-3-fluorophenyl)-4-(diethylamino)butan-2-ol
SMILESCCN(CC)CCC(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C14H21ClFNO/c1-3-17(4-2)9-8-12(18)10-11-6-5-7-13(16)14(11)15/h5-7,12,18H,3-4,8-10H2,1-2H3
InChIKeyKFHBDXSVLYNDRZ-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.11
Rot. Bonds7

About 1-(2-chloro-3-fluorophenyl)-4-(diethylamino)butan-2-ol

1-(2-chloro-3-fluorophenyl)-4-(diethylamino)butan-2-ol (PubChem CID 112653492) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-4-(diethylamino)butan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-4-(diethylamino)butan-2-ol
PubChem CID112653492
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name1-(2-chloro-3-fluorophenyl)-4-(diethylamino)butan-2-ol
SMILESCCN(CC)CCC(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C14H21ClFNO/c1-3-17(4-2)9-8-12(18)10-11-6-5-7-13(16)14(11)15/h5-7,12,18H,3-4,8-10H2,1-2H3
InChIKeyKFHBDXSVLYNDRZ-UHFFFAOYSA-N
XLogP3.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol
CID 114931570
4-(diethylamino)-1-naphthalen-1-ylbutan-2-ol
CID 79086780
1-(2-chloro-3-fluorophenyl)-5-methoxypentan-2-ol
CID 112653463
1-(2-chloro-4-fluorophenyl)-4-(diethylamino)butan-2-ol
CID 79086787
1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112653165
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-ol
CID 112653439
1-(2-chloro-3-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 115831221
1-(2-chloro-3-fluorophenyl)hexan-3-ol
CID 112654007
1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol
CID 112653497
1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 115831211
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 112653011
1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547608

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-4-(diethylamino)butan-2-ol?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-4-(diethylamino)butan-2-ol (CID 112653492) is 1-(2-chloro-3-fluorophenyl)-4-(diethylamino)butan-2-ol.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-4-(diethylamino)butan-2-ol?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-4-(diethylamino)butan-2-ol is CCN(CC)CCC(O)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-4-(diethylamino)butan-2-ol?
The InChIKey is KFHBDXSVLYNDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFNO/c1-3-17(4-2)9-8-12(18)10-11-6-5-7-13(16)14(11)15/h5-7,12,18H,3-4,8-10H2,1-2H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-4-(diethylamino)butan-2-ol?
1-(2-chloro-3-fluorophenyl)-4-(diethylamino)butan-2-ol has a molecular weight of 273.78 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-4-(diethylamino)butan-2-ol is sourced from PubChem (CID 112653492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).