4-(2,3-difluoro-4-methylphenyl)-1-ethylazepan-4-ol

C15H21F2NO — CID 107512253

IUPAC4-(2,3-difluoro-4-methylphenyl)-1-ethylazepan-4-ol
SMILESCCN1CCCC(O)(c2ccc(C)c(F)c2F)CC1
InChIInChI=1S/C15H21F2NO/c1-3-18-9-4-7-15(19,8-10-18)12-6-5-11(2)13(16)14(12)17/h5-6,19H,3-4,7-10H2,1-2H3
InChIKeyHRHFDBKDAUJSLU-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.97
Rot. Bonds2

About 4-(2,3-difluoro-4-methylphenyl)-1-ethylazepan-4-ol

4-(2,3-difluoro-4-methylphenyl)-1-ethylazepan-4-ol (PubChem CID 107512253) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-(2,3-difluoro-4-methylphenyl)-1-ethylazepan-4-ol.

Molecular Properties

Compound Name4-(2,3-difluoro-4-methylphenyl)-1-ethylazepan-4-ol
PubChem CID107512253
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name4-(2,3-difluoro-4-methylphenyl)-1-ethylazepan-4-ol
SMILESCCN1CCCC(O)(c2ccc(C)c(F)c2F)CC1
InChIInChI=1S/C15H21F2NO/c1-3-18-9-4-7-15(19,8-10-18)12-6-5-11(2)13(16)14(12)17/h5-6,19H,3-4,7-10H2,1-2H3
InChIKeyHRHFDBKDAUJSLU-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,3-difluoro-4-methylphenyl)-1-ethylazepan-4-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

4-(2,4-difluorophenyl)-1-ethylazepan-4-ol
CID 65077357
1-ethyl-4-(2-fluoro-5-methylphenyl)azepan-4-ol
CID 65077601
4-(2,4-dimethylphenyl)-1-ethylpiperidin-4-ol
CID 62801498
4-(2,3-difluoro-4-methylphenyl)-1-propan-2-ylpiperidin-4-ol
CID 107512101
1-ethyl-4-(3-methylthiophen-2-yl)azepan-4-ol
CID 79992364
1-ethyl-4-(2,4,5-trimethylphenyl)piperidin-4-ol
CID 64984824
4-(2,3-difluorophenyl)-1-ethylpiperidin-4-ol;4-(2,3-difluorophenyl)-1-propylpiperidin-4-ol
CID 158903021
1-ethyl-4-(4-methyl-3-pyridinyl)piperidin-4-ol
CID 66273719
1-(2,3-difluoro-4-methylphenyl)-4-propylcyclohexan-1-ol
CID 107512064
4-(3-chloro-4-methylphenyl)-1-ethylpiperidin-4-ol
CID 107559480
4-(3,4-dihydro-2H-chromen-8-yl)-1-ethylazepan-4-ol
CID 114743484
1-ethyl-4-(3-fluoro-5-methylphenyl)piperidin-4-ol
CID 79691640

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluoro-4-methylphenyl)-1-ethylazepan-4-ol?
The IUPAC name of 4-(2,3-difluoro-4-methylphenyl)-1-ethylazepan-4-ol (CID 107512253) is 4-(2,3-difluoro-4-methylphenyl)-1-ethylazepan-4-ol.
What is the SMILES notation for 4-(2,3-difluoro-4-methylphenyl)-1-ethylazepan-4-ol?
The canonical SMILES for 4-(2,3-difluoro-4-methylphenyl)-1-ethylazepan-4-ol is CCN1CCCC(O)(c2ccc(C)c(F)c2F)CC1.
What is the InChIKey of 4-(2,3-difluoro-4-methylphenyl)-1-ethylazepan-4-ol?
The InChIKey is HRHFDBKDAUJSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-3-18-9-4-7-15(19,8-10-18)12-6-5-11(2)13(16)14(12)17/h5-6,19H,3-4,7-10H2,1-2H3.
What are the key properties of 4-(2,3-difluoro-4-methylphenyl)-1-ethylazepan-4-ol?
4-(2,3-difluoro-4-methylphenyl)-1-ethylazepan-4-ol has a molecular weight of 269.33 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluoro-4-methylphenyl)-1-ethylazepan-4-ol is sourced from PubChem (CID 107512253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).