1-(2-methylphenyl)azetidine;hydrochloride

C10H14ClN — CID 176582976

IUPAC1-(2-methylphenyl)azetidine;hydrochloride
SMILESCc1ccccc1N1CCC1.Cl
InChIInChI=1S/C10H13N.ClH/c1-9-5-2-3-6-10(9)11-7-4-8-11;/h2-3,5-6H,4,7-8H2,1H3;1H
InChIKeyWDPGIALUKKESLZ-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.63
Rot. Bonds1

About 1-(2-methylphenyl)azetidine;hydrochloride

1-(2-methylphenyl)azetidine;hydrochloride (PubChem CID 176582976) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 1-(2-methylphenyl)azetidine;hydrochloride.

Molecular Properties

Compound Name1-(2-methylphenyl)azetidine;hydrochloride
PubChem CID176582976
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name1-(2-methylphenyl)azetidine;hydrochloride
SMILESCc1ccccc1N1CCC1.Cl
InChIInChI=1S/C10H13N.ClH/c1-9-5-2-3-6-10(9)11-7-4-8-11;/h2-3,5-6H,4,7-8H2,1H3;1H
InChIKeyWDPGIALUKKESLZ-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(2-methylphenyl)imidazolidine;ethane
CID 145329565
1-[2-(2-methylphenyl)phenyl]pyrrolidine
CID 168513578
[4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine
CID 117007839
1-(2-methylphenyl)-3,6-dihydro-2H-pyridine
CID 19612143
4-hydroxy-1-(2-methylphenyl)azepane-4-carboxylic acid
CID 115055686
(1S,5R)-6-[[4-(2-methylphenyl)-1,4-diazepan-1-yl]methyl]-3-azabicyclo[3.1.0]hexane
CID 56892216
8-(2-methylphenyl)-1-oxa-8-azaspiro[4.5]decane
CID 142088748
1-ethylsulfonyl-4-(2-methylphenyl)piperazine
CID 6468889
[1-(2-methylphenyl)piperidin-3-yl]methanol
CID 117026126
1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine
CID 138525322
1-(2-methylphenyl)pyrrolidin-3-one
CID 23052785
2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 141294642

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)azetidine;hydrochloride?
The IUPAC name of 1-(2-methylphenyl)azetidine;hydrochloride (CID 176582976) is 1-(2-methylphenyl)azetidine;hydrochloride.
What is the SMILES notation for 1-(2-methylphenyl)azetidine;hydrochloride?
The canonical SMILES for 1-(2-methylphenyl)azetidine;hydrochloride is Cc1ccccc1N1CCC1.Cl.
What is the InChIKey of 1-(2-methylphenyl)azetidine;hydrochloride?
The InChIKey is WDPGIALUKKESLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.ClH/c1-9-5-2-3-6-10(9)11-7-4-8-11;/h2-3,5-6H,4,7-8H2,1H3;1H.
What are the key properties of 1-(2-methylphenyl)azetidine;hydrochloride?
1-(2-methylphenyl)azetidine;hydrochloride has a molecular weight of 183.68 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)azetidine;hydrochloride is sourced from PubChem (CID 176582976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).