2-[6-methyl-4-(4-methylphenyl)morpholin-2-yl]propan-2-ol

C15H23NO2 — CID 129268434

IUPAC2-[6-methyl-4-(4-methylphenyl)morpholin-2-yl]propan-2-ol
SMILESCc1ccc(N2CC(C)OC(C(C)(C)O)C2)cc1
InChIInChI=1S/C15H23NO2/c1-11-5-7-13(8-6-11)16-9-12(2)18-14(10-16)15(3,4)17/h5-8,12,14,17H,9-10H2,1-4H3
InChIKeyBVGOMSQUNRSUDJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.36
Rot. Bonds2

About 2-[6-methyl-4-(4-methylphenyl)morpholin-2-yl]propan-2-ol

2-[6-methyl-4-(4-methylphenyl)morpholin-2-yl]propan-2-ol (PubChem CID 129268434) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[6-methyl-4-(4-methylphenyl)morpholin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[6-methyl-4-(4-methylphenyl)morpholin-2-yl]propan-2-ol
PubChem CID129268434
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[6-methyl-4-(4-methylphenyl)morpholin-2-yl]propan-2-ol
SMILESCc1ccc(N2CC(C)OC(C(C)(C)O)C2)cc1
InChIInChI=1S/C15H23NO2/c1-11-5-7-13(8-6-11)16-9-12(2)18-14(10-16)15(3,4)17/h5-8,12,14,17H,9-10H2,1-4H3
InChIKeyBVGOMSQUNRSUDJ-UHFFFAOYSA-N
XLogP2.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S,6S)-6-methyl-4-(4-propan-2-ylphenyl)morpholin-2-yl]propan-2-ol
CID 129268164
(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
CID 166696094
2-[6-methyl-4-(4-methylphenyl)morpholin-2-yl]ethanamine
CID 82290839
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
CID 49190772
4-[3-[4-[2-(2-hydroxypropan-2-yl)-6-methylmorpholin-4-yl]phenyl]-4-methoxyquinolin-8-yl]benzonitrile
CID 126518389
(3aS,6aR)-5-(4-methylphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 166093672
2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine
CID 171714626
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol
CID 93023320
[4-(2,6-dimethylmorpholin-4-yl)phenyl]methanol
CID 43121035
(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)piperazine
CID 95438756
6-tert-butyl-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
CID 142421850
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol
CID 43505904

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-4-(4-methylphenyl)morpholin-2-yl]propan-2-ol?
The IUPAC name of 2-[6-methyl-4-(4-methylphenyl)morpholin-2-yl]propan-2-ol (CID 129268434) is 2-[6-methyl-4-(4-methylphenyl)morpholin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[6-methyl-4-(4-methylphenyl)morpholin-2-yl]propan-2-ol?
The canonical SMILES for 2-[6-methyl-4-(4-methylphenyl)morpholin-2-yl]propan-2-ol is Cc1ccc(N2CC(C)OC(C(C)(C)O)C2)cc1.
What is the InChIKey of 2-[6-methyl-4-(4-methylphenyl)morpholin-2-yl]propan-2-ol?
The InChIKey is BVGOMSQUNRSUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-5-7-13(8-6-11)16-9-12(2)18-14(10-16)15(3,4)17/h5-8,12,14,17H,9-10H2,1-4H3.
What are the key properties of 2-[6-methyl-4-(4-methylphenyl)morpholin-2-yl]propan-2-ol?
2-[6-methyl-4-(4-methylphenyl)morpholin-2-yl]propan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-4-(4-methylphenyl)morpholin-2-yl]propan-2-ol is sourced from PubChem (CID 129268434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).