5-[(2,5-dimethylphenyl)methyl]-3,3-dimethylmorpholine

C15H23NO — CID 116817401

IUPAC5-[(2,5-dimethylphenyl)methyl]-3,3-dimethylmorpholine
SMILESCc1ccc(C)c(CC2COCC(C)(C)N2)c1
InChIInChI=1S/C15H23NO/c1-11-5-6-12(2)13(7-11)8-14-9-17-10-15(3,4)16-14/h5-7,14,16H,8-10H2,1-4H3
InChIKeyCQCLJHNBKKDPIK-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.61
Rot. Bonds2

About 5-[(2,5-dimethylphenyl)methyl]-3,3-dimethylmorpholine

5-[(2,5-dimethylphenyl)methyl]-3,3-dimethylmorpholine (PubChem CID 116817401) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenyl)methyl]-3,3-dimethylmorpholine.

Molecular Properties

Compound Name5-[(2,5-dimethylphenyl)methyl]-3,3-dimethylmorpholine
PubChem CID116817401
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name5-[(2,5-dimethylphenyl)methyl]-3,3-dimethylmorpholine
SMILESCc1ccc(C)c(CC2COCC(C)(C)N2)c1
InChIInChI=1S/C15H23NO/c1-11-5-6-12(2)13(7-11)8-14-9-17-10-15(3,4)16-14/h5-7,14,16H,8-10H2,1-4H3
InChIKeyCQCLJHNBKKDPIK-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-dimethylphenyl)methyl]oxirane
CID 14045723
5-(2,4-dimethylphenyl)-3,3-dimethylmorpholine
CID 82285994
2-[(2,5-dimethylphenyl)methyl]piperazine
CID 82282920
5-(2,2-diphenylethyl)-3,3-dimethylmorpholine
CID 10357167
5-(2-methoxy-5-methylphenyl)-3,3-dimethylmorpholine
CID 82291209
6-[(2,5-dimethylphenyl)methyl]-6-methyl-1,4-diazepane
CID 82475397
3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)morpholine
CID 82296029
N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine
CID 115768702
3-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 82286569
2-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine
CID 106777914
4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazolidine
CID 117228287
4-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 116928416

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenyl)methyl]-3,3-dimethylmorpholine?
The IUPAC name of 5-[(2,5-dimethylphenyl)methyl]-3,3-dimethylmorpholine (CID 116817401) is 5-[(2,5-dimethylphenyl)methyl]-3,3-dimethylmorpholine.
What is the SMILES notation for 5-[(2,5-dimethylphenyl)methyl]-3,3-dimethylmorpholine?
The canonical SMILES for 5-[(2,5-dimethylphenyl)methyl]-3,3-dimethylmorpholine is Cc1ccc(C)c(CC2COCC(C)(C)N2)c1.
What is the InChIKey of 5-[(2,5-dimethylphenyl)methyl]-3,3-dimethylmorpholine?
The InChIKey is CQCLJHNBKKDPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-5-6-12(2)13(7-11)8-14-9-17-10-15(3,4)16-14/h5-7,14,16H,8-10H2,1-4H3.
What are the key properties of 5-[(2,5-dimethylphenyl)methyl]-3,3-dimethylmorpholine?
5-[(2,5-dimethylphenyl)methyl]-3,3-dimethylmorpholine has a molecular weight of 233.35 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenyl)methyl]-3,3-dimethylmorpholine is sourced from PubChem (CID 116817401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).