4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol

C21H28N2O3 — CID 119115046

IUPAC4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol
SMILESCc1cc(CNCC2(O)CCOCC2)cc(C)c1OCc1ccccn1
InChIInChI=1S/C21H28N2O3/c1-16-11-18(13-22-15-21(24)6-9-25-10-7-21)12-17(2)20(16)26-14-19-5-3-4-8-23-19/h3-5,8,11-12,22,24H,6-7,9-10,13-15H2,1-2H3
InChIKeyFJDNTDZFIKBPEP-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.91
Rot. Bonds7

About 4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol

4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol (PubChem CID 119115046) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol
PubChem CID119115046
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol
SMILESCc1cc(CNCC2(O)CCOCC2)cc(C)c1OCc1ccccn1
InChIInChI=1S/C21H28N2O3/c1-16-11-18(13-22-15-21(24)6-9-25-10-7-21)12-17(2)20(16)26-14-19-5-3-4-8-23-19/h3-5,8,11-12,22,24H,6-7,9-10,13-15H2,1-2H3
InChIKeyFJDNTDZFIKBPEP-UHFFFAOYSA-N
XLogP2.91
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol
CID 119128600
5-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]pentanenitrile
CID 119115265
N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 119123091
N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 55684128
N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylcyclopropan-1-amine
CID 119122246
4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol
CID 78928927
4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
CID 78928948
4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol
CID 79032435
4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928832
4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]oxan-4-ol
CID 138993196
3-[(pyridin-2-ylmethylamino)methyl]thiolan-3-ol
CID 111629685
3-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl-methylamino]propanoic acid
CID 122037230

Frequently Asked Questions

What is the IUPAC name of 4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol (CID 119115046) is 4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol is Cc1cc(CNCC2(O)CCOCC2)cc(C)c1OCc1ccccn1.
What is the InChIKey of 4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol?
The InChIKey is FJDNTDZFIKBPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-16-11-18(13-22-15-21(24)6-9-25-10-7-21)12-17(2)20(16)26-14-19-5-3-4-8-23-19/h3-5,8,11-12,22,24H,6-7,9-10,13-15H2,1-2H3.
What are the key properties of 4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol?
4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol has a molecular weight of 356.47 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 119115046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).