1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol

C15H22ClNO2 — CID 16807396

IUPAC1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
SMILESOC(COc1ccccc1Cl)CN1CCCCCC1
InChIInChI=1S/C15H22ClNO2/c16-14-7-3-4-8-15(14)19-12-13(18)11-17-9-5-1-2-6-10-17/h3-4,7-8,13,18H,1-2,5-6,9-12H2
InChIKeyVHMQHCCWVGKUSF-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.96
Rot. Bonds5

About 1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol

1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol (PubChem CID 16807396) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
PubChem CID16807396
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
SMILESOC(COc1ccccc1Cl)CN1CCCCCC1
InChIInChI=1S/C15H22ClNO2/c16-14-7-3-4-8-15(14)19-12-13(18)11-17-9-5-1-2-6-10-17/h3-4,7-8,13,18H,1-2,5-6,9-12H2
InChIKeyVHMQHCCWVGKUSF-UHFFFAOYSA-N
XLogP2.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-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

(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
(2S)-1-(2-chlorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 34207051
(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
CID 808358
1-(2-chlorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 18823227
1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2914509
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 43364467
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone
CID 112845209
[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
CID 3144428
2-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile
CID 43288772
1-(2-chlorophenoxy)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol
CID 112799354

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol?
The IUPAC name of 1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol (CID 16807396) is 1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol?
The canonical SMILES for 1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol is OC(COc1ccccc1Cl)CN1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol?
The InChIKey is VHMQHCCWVGKUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c16-14-7-3-4-8-15(14)19-12-13(18)11-17-9-5-1-2-6-10-17/h3-4,7-8,13,18H,1-2,5-6,9-12H2.
What are the key properties of 1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol?
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol has a molecular weight of 283.80 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol is sourced from PubChem (CID 16807396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).