2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol

C16H25NO2 — CID 79065620

IUPAC2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol
SMILESCCC(C)(C(O)c1ccc(C)cc1)N1CCOCC1
InChIInChI=1S/C16H25NO2/c1-4-16(3,17-9-11-19-12-10-17)15(18)14-7-5-13(2)6-8-14/h5-8,15,18H,4,9-12H2,1-3H3
InChIKeyGTSGUFAEDTXKFO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.53
Rot. Bonds4

About 2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol

2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol (PubChem CID 79065620) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol
PubChem CID79065620
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol
SMILESCCC(C)(C(O)c1ccc(C)cc1)N1CCOCC1
InChIInChI=1S/C16H25NO2/c1-4-16(3,17-9-11-19-12-10-17)15(18)14-7-5-13(2)6-8-14/h5-8,15,18H,4,9-12H2,1-3H3
InChIKeyGTSGUFAEDTXKFO-UHFFFAOYSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydrofuran-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 102654749
1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 79700570
2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol
CID 79060249
1-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 79065259
3-methyl-3-morpholin-4-yl-1-phenylpentan-2-ol
CID 79064866
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 82791751
1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79057606
[2-methyl-1-(3-methylphenyl)-2-morpholin-4-ylbutyl]hydrazine
CID 105241501
(1R,2S)-2-methyl-1-(4-methylphenyl)butane-1,2-diol
CID 54566569
3-methyl-3-morpholin-4-yl-1-thiophen-3-ylpentan-2-ol
CID 79065174
1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79064831
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79704324

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol?
The IUPAC name of 2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol (CID 79065620) is 2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol is CCC(C)(C(O)c1ccc(C)cc1)N1CCOCC1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol?
The InChIKey is GTSGUFAEDTXKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-16(3,17-9-11-19-12-10-17)15(18)14-7-5-13(2)6-8-14/h5-8,15,18H,4,9-12H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol?
2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol is sourced from PubChem (CID 79065620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).