3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol

C16H25NO2 — CID 62624012

IUPAC3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)CCN1CCOC(C)(C)C1
InChIInChI=1S/C16H25NO2/c1-13-6-4-5-7-14(13)15(18)8-9-17-10-11-19-16(2,3)12-17/h4-7,15,18H,8-12H2,1-3H3
InChIKeyALTUDNZBWQUDOQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.53
Rot. Bonds4

About 3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol

3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol (PubChem CID 62624012) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol
PubChem CID62624012
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)CCN1CCOC(C)(C)C1
InChIInChI=1S/C16H25NO2/c1-13-6-4-5-7-14(13)15(18)8-9-17-10-11-19-16(2,3)12-17/h4-7,15,18H,8-12H2,1-3H3
InChIKeyALTUDNZBWQUDOQ-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

3-(2,2-dimethylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-ol
CID 62619165
1-(4-bromo-2-chlorophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-ol
CID 82780908
3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 81212708
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol
CID 63159696
1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 62623999
1-(2-bromophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-amine
CID 55098553
1-(2-aminophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanol
CID 62265085
1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol
CID 62622922
1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol
CID 62623816
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol
CID 103539283
2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone
CID 43797387
1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 62623454

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol (CID 62624012) is 3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol is Cc1ccccc1C(O)CCN1CCOC(C)(C)C1.
What is the InChIKey of 3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol?
The InChIKey is ALTUDNZBWQUDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-6-4-5-7-14(13)15(18)8-9-17-10-11-19-16(2,3)12-17/h4-7,15,18H,8-12H2,1-3H3.
What are the key properties of 3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol?
3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-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 3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 62624012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).