1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol

C15H22ClNO2 — CID 107407990

IUPAC1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol
SMILESCC1(O)CCCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClNO2/c1-15(18)7-2-9-17(10-8-15)11-12-19-14-5-3-13(16)4-6-14/h3-6,18H,2,7-12H2,1H3
InChIKeyRJEKYWFHUGBNKD-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.96
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol

1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol (PubChem CID 107407990) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol
PubChem CID107407990
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol
SMILESCC1(O)CCCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClNO2/c1-15(18)7-2-9-17(10-8-15)11-12-19-14-5-3-13(16)4-6-14/h3-6,18H,2,7-12H2,1H3
InChIKeyRJEKYWFHUGBNKD-UHFFFAOYSA-N
XLogP2.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-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-hydroxy-4-methylazepan-1-yl)ethoxy]benzonitrile
CID 107404531
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 81096927
1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol
CID 56884401
3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 115873813
(3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol
CID 99955193
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide
CID 80702716
(4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 23553296
1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine
CID 155812406
1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol
CID 81098070
1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine
CID 166625594
1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride
CID 166628381
1-(3-chloropropyl)-4-methylazepan-4-ol
CID 107407609

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol (CID 107407990) is 1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol is CC1(O)CCCN(CCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol?
The InChIKey is RJEKYWFHUGBNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-15(18)7-2-9-17(10-8-15)11-12-19-14-5-3-13(16)4-6-14/h3-6,18H,2,7-12H2,1H3.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol?
1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol has a molecular weight of 283.80 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol is sourced from PubChem (CID 107407990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).