3-methyl-4-(4-propan-2-ylphenyl)morpholine

C14H21NO — CID 155453612

IUPAC3-methyl-4-(4-propan-2-ylphenyl)morpholine
SMILESCC(C)c1ccc(N2CCOCC2C)cc1
InChIInChI=1S/C14H21NO/c1-11(2)13-4-6-14(7-5-13)15-8-9-16-10-12(15)3/h4-7,11-12H,8-10H2,1-3H3
InChIKeyNQXCMFVCYUIGIH-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.04
Rot. Bonds2

About 3-methyl-4-(4-propan-2-ylphenyl)morpholine

3-methyl-4-(4-propan-2-ylphenyl)morpholine (PubChem CID 155453612) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-methyl-4-(4-propan-2-ylphenyl)morpholine.

Molecular Properties

Compound Name3-methyl-4-(4-propan-2-ylphenyl)morpholine
PubChem CID155453612
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-methyl-4-(4-propan-2-ylphenyl)morpholine
SMILESCC(C)c1ccc(N2CCOCC2C)cc1
InChIInChI=1S/C14H21NO/c1-11(2)13-4-6-14(7-5-13)15-8-9-16-10-12(15)3/h4-7,11-12H,8-10H2,1-3H3
InChIKeyNQXCMFVCYUIGIH-UHFFFAOYSA-N
XLogP3.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-propan-2-ylphenyl)morpholine?
The IUPAC name of 3-methyl-4-(4-propan-2-ylphenyl)morpholine (CID 155453612) is 3-methyl-4-(4-propan-2-ylphenyl)morpholine.
What is the SMILES notation for 3-methyl-4-(4-propan-2-ylphenyl)morpholine?
The canonical SMILES for 3-methyl-4-(4-propan-2-ylphenyl)morpholine is CC(C)c1ccc(N2CCOCC2C)cc1.
What is the InChIKey of 3-methyl-4-(4-propan-2-ylphenyl)morpholine?
The InChIKey is NQXCMFVCYUIGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)13-4-6-14(7-5-13)15-8-9-16-10-12(15)3/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of 3-methyl-4-(4-propan-2-ylphenyl)morpholine?
3-methyl-4-(4-propan-2-ylphenyl)morpholine has a molecular weight of 219.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-propan-2-ylphenyl)morpholine is sourced from PubChem (CID 155453612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).