4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol

C14H21F2NO — CID 114931570

IUPAC4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol
SMILESCCN(CC)CCC(O)Cc1c(F)cccc1F
InChIInChI=1S/C14H21F2NO/c1-3-17(4-2)9-8-11(18)10-12-13(15)6-5-7-14(12)16/h5-7,11,18H,3-4,8-10H2,1-2H3
InChIKeyVZROAFNOABHALM-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.60
Rot. Bonds7

About 4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol

4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol (PubChem CID 114931570) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol.

Molecular Properties

Compound Name4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol
PubChem CID114931570
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol
SMILESCCN(CC)CCC(O)Cc1c(F)cccc1F
InChIInChI=1S/C14H21F2NO/c1-3-17(4-2)9-8-11(18)10-12-13(15)6-5-7-14(12)16/h5-7,11,18H,3-4,8-10H2,1-2H3
InChIKeyVZROAFNOABHALM-UHFFFAOYSA-N
XLogP2.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-3-fluorophenyl)-4-(diethylamino)butan-2-ol
CID 112653492
3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 79086786
4-(diethylamino)-1-naphthalen-1-ylbutan-2-ol
CID 79086780
N'-[(2,6-difluorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2059067
1-(2-chloro-4-fluorophenyl)-4-(diethylamino)butan-2-ol
CID 79086787
1-(2,6-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79087903
1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)propan-2-ol
CID 114931519
1-(2,6-difluorophenyl)butane-2,3-diol
CID 103452859
1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol
CID 114931509
1-(tert-butylamino)-3-(2,6-difluorophenyl)propan-2-ol
CID 114934806
4-(diethylamino)-1-quinolin-4-ylbutan-2-ol
CID 79087937

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol?
The IUPAC name of 4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol (CID 114931570) is 4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol.
What is the SMILES notation for 4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol?
The canonical SMILES for 4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol is CCN(CC)CCC(O)Cc1c(F)cccc1F.
What is the InChIKey of 4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol?
The InChIKey is VZROAFNOABHALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-3-17(4-2)9-8-11(18)10-12-13(15)6-5-7-14(12)16/h5-7,11,18H,3-4,8-10H2,1-2H3.
What are the key properties of 4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol?
4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol has a molecular weight of 257.32 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol is sourced from PubChem (CID 114931570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).