(2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride

C14H16ClNO — CID 171196650

IUPAC(2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride
SMILESCOc1ccc2cc([C@@H]3CCN3)ccc2c1.Cl
InChIInChI=1S/C14H15NO.ClH/c1-16-13-5-4-10-8-12(14-6-7-15-14)3-2-11(10)9-13;/h2-5,8-9,14-15H,6-7H2,1H3;1H/t14-;/m0./s1
InChIKeyYFGORIVZTJHHQZ-UQKRIMTDSA-N
MW249.74 g/mol
LogP3.30
Rot. Bonds2

About (2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride

(2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride (PubChem CID 171196650) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is (2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride
PubChem CID171196650
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name(2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride
SMILESCOc1ccc2cc([C@@H]3CCN3)ccc2c1.Cl
InChIInChI=1S/C14H15NO.ClH/c1-16-13-5-4-10-8-12(14-6-7-15-14)3-2-11(10)9-13;/h2-5,8-9,14-15H,6-7H2,1H3;1H/t14-;/m0./s1
InChIKeyYFGORIVZTJHHQZ-UQKRIMTDSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride
CID 171196228
(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride
CID 171194817
(2R)-2-(6-methoxynaphthalen-2-yl)piperidine
CID 171195323
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
3-ethyl-2-(6-methoxynaphthalen-2-yl)pyrrolidine
CID 64689084
4-(4-methoxyphenyl)-1,3-diazinane
CID 123665094
(4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one
CID 171185502
2-cyclopentyl-6-methoxynaphthalene
CID 67100251
(2R)-2-(2-fluoro-5-methoxyphenyl)azetidine;hydrochloride
CID 171197365
(2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride
CID 171197142
2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride
CID 171196735
2-(2-bromo-4-methoxyphenyl)azetidine
CID 130534303

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride?
The IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride (CID 171196650) is (2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride.
What is the SMILES notation for (2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride?
The canonical SMILES for (2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride is COc1ccc2cc([C@@H]3CCN3)ccc2c1.Cl.
What is the InChIKey of (2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride?
The InChIKey is YFGORIVZTJHHQZ-UQKRIMTDSA-N. The full InChI is InChI=1S/C14H15NO.ClH/c1-16-13-5-4-10-8-12(14-6-7-15-14)3-2-11(10)9-13;/h2-5,8-9,14-15H,6-7H2,1H3;1H/t14-;/m0./s1.
What are the key properties of (2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride?
(2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride has a molecular weight of 249.74 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride is sourced from PubChem (CID 171196650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).