1-(3,4-dimethylphenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol

C17H27NO2 — CID 79045595

IUPAC1-(3,4-dimethylphenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol
SMILESCc1ccc(CC(O)C(C)(C)N2CCOCC2)cc1C
InChIInChI=1S/C17H27NO2/c1-13-5-6-15(11-14(13)2)12-16(19)17(3,4)18-7-9-20-10-8-18/h5-6,11,16,19H,7-10,12H2,1-4H3
InChIKeyYXPDSJYLSDBSCQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.32
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol

1-(3,4-dimethylphenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol (PubChem CID 79045595) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol
PubChem CID79045595
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(3,4-dimethylphenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol
SMILESCc1ccc(CC(O)C(C)(C)N2CCOCC2)cc1C
InChIInChI=1S/C17H27NO2/c1-13-5-6-15(11-14(13)2)12-16(19)17(3,4)18-7-9-20-10-8-18/h5-6,11,16,19H,7-10,12H2,1-4H3
InChIKeyYXPDSJYLSDBSCQ-UHFFFAOYSA-N
XLogP2.32
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-morpholin-4-yl-1-phenylpentan-3-ol
CID 79045884
[1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239895
1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 103039633
1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol
CID 79197168
3-(azepan-1-yl)-1-(3-chloro-4-fluorophenyl)-3-methylbutan-2-ol
CID 103039636
1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol
CID 107308188
1-(3,4-dimethylphenyl)-3-(oxan-4-yl)propan-2-ol
CID 62899788
4-methyl-4-morpholin-4-yl-1-thiophen-3-ylpentan-3-ol
CID 79045888
3-methyl-3-morpholin-4-yl-1-phenylpentan-2-ol
CID 79064866
1-(3-fluoro-4-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79051899
3-(azepan-1-yl)-3-methyl-1-phenylbutan-2-ol
CID 79052263
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol (CID 79045595) is 1-(3,4-dimethylphenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol is Cc1ccc(CC(O)C(C)(C)N2CCOCC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol?
The InChIKey is YXPDSJYLSDBSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13-5-6-15(11-14(13)2)12-16(19)17(3,4)18-7-9-20-10-8-18/h5-6,11,16,19H,7-10,12H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol?
1-(3,4-dimethylphenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol is sourced from PubChem (CID 79045595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).