4-(5-chloro-2-methylphenyl)morpholine-2-carbonitrile

C12H13ClN2O — CID 117009748

IUPAC4-(5-chloro-2-methylphenyl)morpholine-2-carbonitrile
SMILESCc1ccc(Cl)cc1N1CCOC(C#N)C1
InChIInChI=1S/C12H13ClN2O/c1-9-2-3-10(13)6-12(9)15-4-5-16-11(7-14)8-15/h2-3,6,11H,4-5,8H2,1H3
InChIKeyAOEVIGZOVJSYPX-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.38
Rot. Bonds1

About 4-(5-chloro-2-methylphenyl)morpholine-2-carbonitrile

4-(5-chloro-2-methylphenyl)morpholine-2-carbonitrile (PubChem CID 117009748) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)morpholine-2-carbonitrile
PubChem CID117009748
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name4-(5-chloro-2-methylphenyl)morpholine-2-carbonitrile
SMILESCc1ccc(Cl)cc1N1CCOC(C#N)C1
InChIInChI=1S/C12H13ClN2O/c1-9-2-3-10(13)6-12(9)15-4-5-16-11(7-14)8-15/h2-3,6,11H,4-5,8H2,1H3
InChIKeyAOEVIGZOVJSYPX-UHFFFAOYSA-N
XLogP2.38
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-nitrophenyl)morpholine-2-carbonitrile
CID 115469457
2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine
CID 82299003
4-[4-(bromomethyl)-2-chlorophenyl]morpholine-2-carbonitrile
CID 107084476
4-(2-amino-3-chlorophenyl)morpholine-2-carbonitrile
CID 104834711
4-[2-(1-aminoethyl)-4-bromophenyl]morpholine-2-carbonitrile
CID 82968886
1-(5-chloro-2-methylphenyl)aziridine-2-carbonitrile
CID 117009821
4-(2-aminophenyl)morpholine-2-carbonitrile
CID 79674348
4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carbonitrile
CID 79675044
4-(2-amino-4,5-dimethoxyphenyl)morpholine-2-carbonitrile
CID 83008570
4-phenylmorpholine-2-carbonitrile
CID 67651414
1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine
CID 60862449
4-(2-bromo-5-methyl-4-nitrophenyl)morpholine-2-carbonitrile
CID 103269477

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(5-chloro-2-methylphenyl)morpholine-2-carbonitrile (CID 117009748) is 4-(5-chloro-2-methylphenyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)morpholine-2-carbonitrile is Cc1ccc(Cl)cc1N1CCOC(C#N)C1.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)morpholine-2-carbonitrile?
The InChIKey is AOEVIGZOVJSYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-9-2-3-10(13)6-12(9)15-4-5-16-11(7-14)8-15/h2-3,6,11H,4-5,8H2,1H3.
What are the key properties of 4-(5-chloro-2-methylphenyl)morpholine-2-carbonitrile?
4-(5-chloro-2-methylphenyl)morpholine-2-carbonitrile has a molecular weight of 236.70 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylphenyl)morpholine-2-carbonitrile is sourced from PubChem (CID 117009748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).