4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol

C16H25NO2 — CID 81131119

IUPAC4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol
SMILESCc1ccc(C)c(C(C)NCC2(O)CCOCC2)c1
InChIInChI=1S/C16H25NO2/c1-12-4-5-13(2)15(10-12)14(3)17-11-16(18)6-8-19-9-7-16/h4-5,10,14,17-18H,6-9,11H2,1-3H3
InChIKeyMLLMIIVCQWRXFH-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.50
Rot. Bonds4

About 4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol

4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol (PubChem CID 81131119) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol
PubChem CID81131119
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol
SMILESCc1ccc(C)c(C(C)NCC2(O)CCOCC2)c1
InChIInChI=1S/C16H25NO2/c1-12-4-5-13(2)15(10-12)14(3)17-11-16(18)6-8-19-9-7-16/h4-5,10,14,17-18H,6-9,11H2,1-3H3
InChIKeyMLLMIIVCQWRXFH-UHFFFAOYSA-N
XLogP2.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122847
2-[1-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethyl]-4-methylphenol
CID 65115152
1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385424
2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol
CID 104582377
4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol
CID 81134000
2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol
CID 65107647
1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122891
4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol
CID 81130776
4-[[1-(3-bromophenyl)ethylamino]methyl]oxan-4-ol
CID 79140113
3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
CID 113383834
4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol
CID 81130842
4-[1-[(4-hydroxyoxan-4-yl)methylamino]ethyl]benzonitrile
CID 81131112

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol (CID 81131119) is 4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol is Cc1ccc(C)c(C(C)NCC2(O)CCOCC2)c1.
What is the InChIKey of 4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol?
The InChIKey is MLLMIIVCQWRXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-4-5-13(2)15(10-12)14(3)17-11-16(18)6-8-19-9-7-16/h4-5,10,14,17-18H,6-9,11H2,1-3H3.
What are the key properties of 4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol?
4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol has a molecular weight of 263.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol is sourced from PubChem (CID 81131119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).