3-benzylazetidine;hydrochloride

C10H14ClN — CID 54592835

IUPAC3-benzylazetidine;hydrochloride
SMILESCl.c1ccc(CC2CNC2)cc1
InChIInChI=1S/C10H13N.ClH/c1-2-4-9(5-3-1)6-10-7-11-8-10;/h1-5,10-11H,6-8H2;1H
InChIKeyNQSYCYSKQSQIBX-UHFFFAOYSA-N
MW183.68 g/mol
LogP1.87
Rot. Bonds2

About 3-benzylazetidine;hydrochloride

3-benzylazetidine;hydrochloride (PubChem CID 54592835) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 3-benzylazetidine;hydrochloride.

Molecular Properties

Compound Name3-benzylazetidine;hydrochloride
PubChem CID54592835
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name3-benzylazetidine;hydrochloride
SMILESCl.c1ccc(CC2CNC2)cc1
InChIInChI=1S/C10H13N.ClH/c1-2-4-9(5-3-1)6-10-7-11-8-10;/h1-5,10-11H,6-8H2;1H
InChIKeyNQSYCYSKQSQIBX-UHFFFAOYSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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[(3S)-5-benzylpiperidin-3-yl] carbamate
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5-benzyldiazepane
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3-[(4-methoxyphenyl)methyl]azetidine
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3-(azetidin-3-ylmethyl)-1H-pyrrole
CID 82280065
2-(azetidin-3-ylmethyl)-5-phenylmethoxypyrimidine
CID 117231356
(3R,4S)-3-benzyl-4-methoxypyrrolidine
CID 59265809
(2S,5R)-5-benzyl-2-methylpiperidine
CID 130765176
1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-N-methylmethanamine
CID 68835618

Frequently Asked Questions

What is the IUPAC name of 3-benzylazetidine;hydrochloride?
The IUPAC name of 3-benzylazetidine;hydrochloride (CID 54592835) is 3-benzylazetidine;hydrochloride.
What is the SMILES notation for 3-benzylazetidine;hydrochloride?
The canonical SMILES for 3-benzylazetidine;hydrochloride is Cl.c1ccc(CC2CNC2)cc1.
What is the InChIKey of 3-benzylazetidine;hydrochloride?
The InChIKey is NQSYCYSKQSQIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.ClH/c1-2-4-9(5-3-1)6-10-7-11-8-10;/h1-5,10-11H,6-8H2;1H.
What are the key properties of 3-benzylazetidine;hydrochloride?
3-benzylazetidine;hydrochloride has a molecular weight of 183.68 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylazetidine;hydrochloride is sourced from PubChem (CID 54592835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).