3-methyl-2-(4-methylphenyl)morpholine

C12H17NO — CID 43169333

IUPAC3-methyl-2-(4-methylphenyl)morpholine
SMILESCc1ccc(C2OCCNC2C)cc1
InChIInChI=1S/C12H17NO/c1-9-3-5-11(6-4-9)12-10(2)13-7-8-14-12/h3-6,10,12-13H,7-8H2,1-2H3
InChIKeyNWNCIXFIIDVRKE-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.04
Rot. Bonds1

About 3-methyl-2-(4-methylphenyl)morpholine

3-methyl-2-(4-methylphenyl)morpholine (PubChem CID 43169333) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-methyl-2-(4-methylphenyl)morpholine.

Molecular Properties

Compound Name3-methyl-2-(4-methylphenyl)morpholine
PubChem CID43169333
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-methyl-2-(4-methylphenyl)morpholine
SMILESCc1ccc(C2OCCNC2C)cc1
InChIInChI=1S/C12H17NO/c1-9-3-5-11(6-4-9)12-10(2)13-7-8-14-12/h3-6,10,12-13H,7-8H2,1-2H3
InChIKeyNWNCIXFIIDVRKE-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylphenyl)morpholine?
The IUPAC name of 3-methyl-2-(4-methylphenyl)morpholine (CID 43169333) is 3-methyl-2-(4-methylphenyl)morpholine.
What is the SMILES notation for 3-methyl-2-(4-methylphenyl)morpholine?
The canonical SMILES for 3-methyl-2-(4-methylphenyl)morpholine is Cc1ccc(C2OCCNC2C)cc1.
What is the InChIKey of 3-methyl-2-(4-methylphenyl)morpholine?
The InChIKey is NWNCIXFIIDVRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-3-5-11(6-4-9)12-10(2)13-7-8-14-12/h3-6,10,12-13H,7-8H2,1-2H3.
What are the key properties of 3-methyl-2-(4-methylphenyl)morpholine?
3-methyl-2-(4-methylphenyl)morpholine has a molecular weight of 191.27 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylphenyl)morpholine is sourced from PubChem (CID 43169333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).