2-(2-methylphenyl)-2-morpholin-4-ylacetonitrile;hydrochloride

C13H17ClN2O — CID 45261236

IUPAC2-(2-methylphenyl)-2-morpholin-4-ylacetonitrile;hydrochloride
SMILESCc1ccccc1C(C#N)N1CCOCC1.Cl
InChIInChI=1S/C13H16N2O.ClH/c1-11-4-2-3-5-12(11)13(10-14)15-6-8-16-9-7-15;/h2-5,13H,6-9H2,1H3;1H
InChIKeyAEKPGKJOWKQDRP-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.31
Rot. Bonds2

About 2-(2-methylphenyl)-2-morpholin-4-ylacetonitrile;hydrochloride

2-(2-methylphenyl)-2-morpholin-4-ylacetonitrile;hydrochloride (PubChem CID 45261236) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 2-(2-methylphenyl)-2-morpholin-4-ylacetonitrile;hydrochloride.

Molecular Properties

Compound Name2-(2-methylphenyl)-2-morpholin-4-ylacetonitrile;hydrochloride
PubChem CID45261236
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name2-(2-methylphenyl)-2-morpholin-4-ylacetonitrile;hydrochloride
SMILESCc1ccccc1C(C#N)N1CCOCC1.Cl
InChIInChI=1S/C13H16N2O.ClH/c1-11-4-2-3-5-12(11)13(10-14)15-6-8-16-9-7-15;/h2-5,13H,6-9H2,1H3;1H
InChIKeyAEKPGKJOWKQDRP-UHFFFAOYSA-N
XLogP2.31
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-2-morpholin-4-ylacetonitrile;hydrochloride?
The IUPAC name of 2-(2-methylphenyl)-2-morpholin-4-ylacetonitrile;hydrochloride (CID 45261236) is 2-(2-methylphenyl)-2-morpholin-4-ylacetonitrile;hydrochloride.
What is the SMILES notation for 2-(2-methylphenyl)-2-morpholin-4-ylacetonitrile;hydrochloride?
The canonical SMILES for 2-(2-methylphenyl)-2-morpholin-4-ylacetonitrile;hydrochloride is Cc1ccccc1C(C#N)N1CCOCC1.Cl.
What is the InChIKey of 2-(2-methylphenyl)-2-morpholin-4-ylacetonitrile;hydrochloride?
The InChIKey is AEKPGKJOWKQDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.ClH/c1-11-4-2-3-5-12(11)13(10-14)15-6-8-16-9-7-15;/h2-5,13H,6-9H2,1H3;1H.
What are the key properties of 2-(2-methylphenyl)-2-morpholin-4-ylacetonitrile;hydrochloride?
2-(2-methylphenyl)-2-morpholin-4-ylacetonitrile;hydrochloride has a molecular weight of 252.75 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-2-morpholin-4-ylacetonitrile;hydrochloride is sourced from PubChem (CID 45261236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).