3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol

C15H23NO2 — CID 62613095

IUPAC3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
SMILESCN(CCC(O)c1ccccc1)C1CCOCC1
InChIInChI=1S/C15H23NO2/c1-16(14-8-11-18-12-9-14)10-7-15(17)13-5-3-2-4-6-13/h2-6,14-15,17H,7-12H2,1H3
InChIKeyCFTDLNVUIFURCC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.22
Rot. Bonds5

About 3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol

3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol (PubChem CID 62613095) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
PubChem CID62613095
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
SMILESCN(CCC(O)c1ccccc1)C1CCOCC1
InChIInChI=1S/C15H23NO2/c1-16(14-8-11-18-12-9-14)10-7-15(17)13-5-3-2-4-6-13/h2-6,14-15,17H,7-12H2,1H3
InChIKeyCFTDLNVUIFURCC-UHFFFAOYSA-N
XLogP2.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
CID 62618821
1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
CID 62630319
3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol
CID 82754768
4-[4-[(3-hydroxy-3-phenylpropyl)-methylamino]cyclohexyl]phenol
CID 21260460
3-[methyl(oxolan-3-yl)amino]-1-(2-methylphenyl)propan-1-ol
CID 82754684
3-[2-(dimethylamino)ethyl-methylamino]-1-phenylpropan-1-ol
CID 63700698
1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
CID 62264706
3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol
CID 62643359
3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol
CID 62613757
N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
CID 62629255
ethanol;N-methyl-N-(3-methylbutyl)oxan-4-amine
CID 144600556
N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine
CID 62779870

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol (CID 62613095) is 3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol is CN(CCC(O)c1ccccc1)C1CCOCC1.
What is the InChIKey of 3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol?
The InChIKey is CFTDLNVUIFURCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-16(14-8-11-18-12-9-14)10-7-15(17)13-5-3-2-4-6-13/h2-6,14-15,17H,7-12H2,1H3.
What are the key properties of 3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol?
3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 62613095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).