4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol

C17H27NO2 — CID 115746964

IUPAC4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol
SMILESCN(CCCCc1ccccc1)CC1(O)CCOCC1
InChIInChI=1S/C17H27NO2/c1-18(15-17(19)10-13-20-14-11-17)12-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,19H,5-6,9-15H2,1H3
InChIKeyJQALSYWPVRRAEA-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.48
Rot. Bonds7

About 4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol

4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol (PubChem CID 115746964) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol
PubChem CID115746964
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol
SMILESCN(CCCCc1ccccc1)CC1(O)CCOCC1
InChIInChI=1S/C17H27NO2/c1-18(15-17(19)10-13-20-14-11-17)12-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,19H,5-6,9-15H2,1H3
InChIKeyJQALSYWPVRRAEA-UHFFFAOYSA-N
XLogP2.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol
CID 115746956
4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol
CID 114952449
4-[[5-hydroxypentyl(methyl)amino]methyl]oxan-4-ol
CID 114951905
4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol
CID 114953922
4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol
CID 114948386
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(4-phenylbutyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol (CID 115746964) is 4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol is CN(CCCCc1ccccc1)CC1(O)CCOCC1.
What is the InChIKey of 4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol?
The InChIKey is JQALSYWPVRRAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-18(15-17(19)10-13-20-14-11-17)12-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,19H,5-6,9-15H2,1H3.
What are the key properties of 4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol?
4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol has a molecular weight of 277.41 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 115746964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).