4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol

C15H23NO3 — CID 79032435

IUPAC4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol
SMILESCOCc1ccc(CNCC2(O)CCOCC2)cc1
InChIInChI=1S/C15H23NO3/c1-18-11-14-4-2-13(3-5-14)10-16-12-15(17)6-8-19-9-7-15/h2-5,16-17H,6-12H2,1H3
InChIKeyBUZFRDDFHXOIHN-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.46
Rot. Bonds6

About 4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol

4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol (PubChem CID 79032435) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol
PubChem CID79032435
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol
SMILESCOCc1ccc(CNCC2(O)CCOCC2)cc1
InChIInChI=1S/C15H23NO3/c1-18-11-14-4-2-13(3-5-14)10-16-12-15(17)6-8-19-9-7-15/h2-5,16-17H,6-12H2,1H3
InChIKeyBUZFRDDFHXOIHN-UHFFFAOYSA-N
XLogP1.46
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848358
4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
CID 78928948
4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 111106413
2-[4-[[(4-hydroxyoxan-4-yl)methylamino]methyl]phenyl]acetic acid
CID 103257030
4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928791
4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928832
4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol
CID 78928927
3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100480
4-[[[3-(3-methoxypropoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 119115069
4-[[(3-butoxy-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 119114989
3-[[(4-methylsulfanylphenyl)methylamino]methyl]oxolan-3-ol
CID 103848331
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol (CID 79032435) is 4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol is COCc1ccc(CNCC2(O)CCOCC2)cc1.
What is the InChIKey of 4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol?
The InChIKey is BUZFRDDFHXOIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-18-11-14-4-2-13(3-5-14)10-16-12-15(17)6-8-19-9-7-15/h2-5,16-17H,6-12H2,1H3.
What are the key properties of 4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol?
4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol has a molecular weight of 265.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 79032435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).