4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol

C16H25NO2 — CID 115746956

IUPAC4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol
SMILESCN(CCCc1ccccc1)CC1(O)CCOCC1
InChIInChI=1S/C16H25NO2/c1-17(14-16(18)9-12-19-13-10-16)11-5-8-15-6-3-2-4-7-15/h2-4,6-7,18H,5,8-14H2,1H3
InChIKeyKXEWYDYRBQZVEP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.09
Rot. Bonds6

About 4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol

4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol (PubChem CID 115746956) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol
PubChem CID115746956
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol
SMILESCN(CCCc1ccccc1)CC1(O)CCOCC1
InChIInChI=1S/C16H25NO2/c1-17(14-16(18)9-12-19-13-10-16)11-5-8-15-6-3-2-4-7-15/h2-4,6-7,18H,5,8-14H2,1H3
InChIKeyKXEWYDYRBQZVEP-UHFFFAOYSA-N
XLogP2.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol
CID 115746964
4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol
CID 114948386
4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol
CID 114952449
4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol
CID 114953922
4-[[5-hydroxypentyl(methyl)amino]methyl]oxan-4-ol
CID 114951905
4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol
CID 105343882
4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol
CID 105344297
4-[[5-chloropentyl(methyl)amino]methyl]oxan-4-ol
CID 114952437
4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894
4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol
CID 114948588
4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 113269047
4-[[3-(3-aminopyrazol-1-yl)propyl-methylamino]methyl]oxan-4-ol
CID 114948407

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol (CID 115746956) is 4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol is CN(CCCc1ccccc1)CC1(O)CCOCC1.
What is the InChIKey of 4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol?
The InChIKey is KXEWYDYRBQZVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-17(14-16(18)9-12-19-13-10-16)11-5-8-15-6-3-2-4-7-15/h2-4,6-7,18H,5,8-14H2,1H3.
What are the key properties of 4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol?
4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol has a molecular weight of 263.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 115746956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).