3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine

C17H17Cl2NO — CID 71516267

IUPAC3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine
SMILESClc1ccc([C@H](OCc2ccccc2)C2CNC2)cc1Cl
InChIInChI=1S/C17H17Cl2NO/c18-15-7-6-13(8-16(15)19)17(14-9-20-10-14)21-11-12-4-2-1-3-5-12/h1-8,14,17,20H,9-11H2/t17-/m0/s1
InChIKeyNPOJMGQPZAJVDH-KRWDZBQOSA-N
MW322.24 g/mol
LogP4.47
Rot. Bonds5

About 3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine

3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine (PubChem CID 71516267) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine.

Molecular Properties

Compound Name3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine
PubChem CID71516267
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine
SMILESClc1ccc([C@H](OCc2ccccc2)C2CNC2)cc1Cl
InChIInChI=1S/C17H17Cl2NO/c18-15-7-6-13(8-16(15)19)17(14-9-20-10-14)21-11-12-4-2-1-3-5-12/h1-8,14,17,20H,9-11H2/t17-/m0/s1
InChIKeyNPOJMGQPZAJVDH-KRWDZBQOSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(S)-azetidin-3-yl-(3,4-dichlorophenyl)methyl] benzoate
CID 71516067
3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine
CID 78094523
3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine
CID 71516473
3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine;hydrochloride
CID 86722613
3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine
CID 71516269
3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine
CID 71516398
3-[(R)-ethoxy(phenyl)methyl]azetidine
CID 71516188
(S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride
CID 71515954
3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine
CID 78094255
3-[(S)-(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine;hydrochloride
CID 71515544
3-[(4-bromophenyl)-(3,4-dichlorophenyl)methyl]azetidine
CID 59446673
3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine
CID 71727986

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine?
The IUPAC name of 3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine (CID 71516267) is 3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine.
What is the SMILES notation for 3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine?
The canonical SMILES for 3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine is Clc1ccc([C@H](OCc2ccccc2)C2CNC2)cc1Cl.
What is the InChIKey of 3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine?
The InChIKey is NPOJMGQPZAJVDH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c18-15-7-6-13(8-16(15)19)17(14-9-20-10-14)21-11-12-4-2-1-3-5-12/h1-8,14,17,20H,9-11H2/t17-/m0/s1.
What are the key properties of 3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine?
3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine has a molecular weight of 322.24 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine is sourced from PubChem (CID 71516267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).