3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine;hydrochloride

C15H20Cl3NO — CID 86722613

IUPAC3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine;hydrochloride
SMILESCl.Clc1ccc(C(OC2CCCC2)C2CNC2)cc1Cl
InChIInChI=1S/C15H19Cl2NO.ClH/c16-13-6-5-10(7-14(13)17)15(11-8-18-9-11)19-12-3-1-2-4-12;/h5-7,11-12,15,18H,1-4,8-9H2;1H
InChIKeyOXESQUMQLDPPGD-UHFFFAOYSA-N
MW336.69 g/mol
LogP4.63
Rot. Bonds4

About 3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine;hydrochloride

3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine;hydrochloride (PubChem CID 86722613) has the molecular formula C15H20Cl3NO and a molecular weight of 336.69 g/mol. Its IUPAC name is 3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine;hydrochloride
PubChem CID86722613
Molecular FormulaC15H20Cl3NO
Molecular Weight336.69 g/mol
Exact Mass335.06
IUPAC Name3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine;hydrochloride
SMILESCl.Clc1ccc(C(OC2CCCC2)C2CNC2)cc1Cl
InChIInChI=1S/C15H19Cl2NO.ClH/c16-13-6-5-10(7-14(13)17)15(11-8-18-9-11)19-12-3-1-2-4-12;/h5-7,11-12,15,18H,1-4,8-9H2;1H
InChIKeyOXESQUMQLDPPGD-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.69
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine;hydrochloride 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

3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine
CID 78094523
(S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride
CID 71515954
tert-butyl 3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine-1-carboxylate
CID 86722611
3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine
CID 71516267
[(S)-azetidin-3-yl-(3,4-dichlorophenyl)methyl] benzoate
CID 71516067
3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine
CID 71516398
3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine
CID 71516269
3-[(S)-(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine;hydrochloride
CID 71515544
3-[(4-bromophenyl)-(3,4-dichlorophenyl)methyl]azetidine
CID 59446673
1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171274925
3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine
CID 90217872
3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine
CID 71516473

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine;hydrochloride?
The IUPAC name of 3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine;hydrochloride (CID 86722613) is 3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine;hydrochloride.
What is the SMILES notation for 3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine;hydrochloride?
The canonical SMILES for 3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine;hydrochloride is Cl.Clc1ccc(C(OC2CCCC2)C2CNC2)cc1Cl.
What is the InChIKey of 3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine;hydrochloride?
The InChIKey is OXESQUMQLDPPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO.ClH/c16-13-6-5-10(7-14(13)17)15(11-8-18-9-11)19-12-3-1-2-4-12;/h5-7,11-12,15,18H,1-4,8-9H2;1H.
What are the key properties of 3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine;hydrochloride?
3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine;hydrochloride has a molecular weight of 336.69 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine;hydrochloride is sourced from PubChem (CID 86722613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).