4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol

C16H25NO2 — CID 114952780

IUPAC4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol
SMILESCc1ccc(CN(C)CC2(O)CCOCC2)cc1C
InChIInChI=1S/C16H25NO2/c1-13-4-5-15(10-14(13)2)11-17(3)12-16(18)6-8-19-9-7-16/h4-5,10,18H,6-9,11-12H2,1-3H3
InChIKeyBRURRULALGVNAX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.28
Rot. Bonds4

About 4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol

4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol (PubChem CID 114952780) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol
PubChem CID114952780
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol
SMILESCc1ccc(CN(C)CC2(O)CCOCC2)cc1C
InChIInChI=1S/C16H25NO2/c1-13-4-5-15(10-14(13)2)11-17(3)12-16(18)6-8-19-9-7-16/h4-5,10,18H,6-9,11-12H2,1-3H3
InChIKeyBRURRULALGVNAX-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746943
4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 113269052
1-(3,4-dimethylphenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
CID 114950501
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746890
[1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243516
4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol
CID 114953250
3-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile
CID 115248057
4-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 115746934
4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 113269047
4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115749285
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol (CID 114952780) is 4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol is Cc1ccc(CN(C)CC2(O)CCOCC2)cc1C.
What is the InChIKey of 4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol?
The InChIKey is BRURRULALGVNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-4-5-15(10-14(13)2)11-17(3)12-16(18)6-8-19-9-7-16/h4-5,10,18H,6-9,11-12H2,1-3H3.
What are the key properties of 4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol?
4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol has a molecular weight of 263.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114952780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).