4-[(3-methylphenyl)methyl]morpholine

C12H17NO — CID 783040

IUPAC4-[(3-methylphenyl)methyl]morpholine
SMILESCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C12H17NO/c1-11-3-2-4-12(9-11)10-13-5-7-14-8-6-13/h2-4,9H,5-8,10H2,1H3
InChIKeyKKPCPGWGLHHNSW-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.83
Rot. Bonds2

About 4-[(3-methylphenyl)methyl]morpholine

4-[(3-methylphenyl)methyl]morpholine (PubChem CID 783040) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3-methylphenyl)methyl]morpholine
PubChem CID783040
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-[(3-methylphenyl)methyl]morpholine
SMILESCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C12H17NO/c1-11-3-2-4-12(9-11)10-13-5-7-14-8-6-13/h2-4,9H,5-8,10H2,1H3
InChIKeyKKPCPGWGLHHNSW-UHFFFAOYSA-N
XLogP1.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methyl]morpholine?
The IUPAC name of 4-[(3-methylphenyl)methyl]morpholine (CID 783040) is 4-[(3-methylphenyl)methyl]morpholine.
What is the SMILES notation for 4-[(3-methylphenyl)methyl]morpholine?
The canonical SMILES for 4-[(3-methylphenyl)methyl]morpholine is Cc1cccc(CN2CCOCC2)c1.
What is the InChIKey of 4-[(3-methylphenyl)methyl]morpholine?
The InChIKey is KKPCPGWGLHHNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-11-3-2-4-12(9-11)10-13-5-7-14-8-6-13/h2-4,9H,5-8,10H2,1H3.
What are the key properties of 4-[(3-methylphenyl)methyl]morpholine?
4-[(3-methylphenyl)methyl]morpholine has a molecular weight of 191.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methyl]morpholine is sourced from PubChem (CID 783040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).