(2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride

C16H18ClNO — CID 171196929

IUPAC(2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride
SMILESCl.c1ccc(COc2ccc([C@@H]3CCN3)cc2)cc1
InChIInChI=1S/C16H17NO.ClH/c1-2-4-13(5-3-1)12-18-15-8-6-14(7-9-15)16-10-11-17-16;/h1-9,16-17H,10-12H2;1H/t16-;/m0./s1
InChIKeyZWCAQGIYHDWSIZ-NTISSMGPSA-N
MW275.78 g/mol
LogP3.72
Rot. Bonds4

About (2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride

(2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride (PubChem CID 171196929) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is (2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride
PubChem CID171196929
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name(2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride
SMILESCl.c1ccc(COc2ccc([C@@H]3CCN3)cc2)cc1
InChIInChI=1S/C16H17NO.ClH/c1-2-4-13(5-3-1)12-18-15-8-6-14(7-9-15)16-10-11-17-16;/h1-9,16-17H,10-12H2;1H/t16-;/m0./s1
InChIKeyZWCAQGIYHDWSIZ-NTISSMGPSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196054
(2S)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196463
(2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine
CID 169114961
2-(2-phenylmethoxyphenyl)azetidine
CID 130043680
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride
CID 18357130
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
CID 130539986
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene
CID 125154534
(2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine
CID 171348097
1-(4-phenylmethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
CID 42739805

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride?
The IUPAC name of (2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride (CID 171196929) is (2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride.
What is the SMILES notation for (2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride?
The canonical SMILES for (2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride is Cl.c1ccc(COc2ccc([C@@H]3CCN3)cc2)cc1.
What is the InChIKey of (2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride?
The InChIKey is ZWCAQGIYHDWSIZ-NTISSMGPSA-N. The full InChI is InChI=1S/C16H17NO.ClH/c1-2-4-13(5-3-1)12-18-15-8-6-14(7-9-15)16-10-11-17-16;/h1-9,16-17H,10-12H2;1H/t16-;/m0./s1.
What are the key properties of (2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride?
(2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride is sourced from PubChem (CID 171196929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).