3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol

C16H25NO2 — CID 62613757

IUPAC3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol
SMILESCN(CCC(O)c1ccccc1)CC1CCCCO1
InChIInChI=1S/C16H25NO2/c1-17(13-15-9-5-6-12-19-15)11-10-16(18)14-7-3-2-4-8-14/h2-4,7-8,15-16,18H,5-6,9-13H2,1H3
InChIKeyJCVFFEUEXSLYIQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.61
Rot. Bonds6

About 3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol

3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol (PubChem CID 62613757) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol
PubChem CID62613757
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol
SMILESCN(CCC(O)c1ccccc1)CC1CCCCO1
InChIInChI=1S/C16H25NO2/c1-17(13-15-9-5-6-12-19-15)11-10-16(18)14-7-3-2-4-8-14/h2-4,7-8,15-16,18H,5-6,9-13H2,1H3
InChIKeyJCVFFEUEXSLYIQ-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624909
1-(4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 55099454
N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine
CID 62611613
1-(3-bromophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanol
CID 110902060
N,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62630443
1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol
CID 64820238
2-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]benzoic acid
CID 104548757
3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
CID 62613095
1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol
CID 63655492
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide
CID 62876627
1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 110898632

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol (CID 62613757) is 3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol is CN(CCC(O)c1ccccc1)CC1CCCCO1.
What is the InChIKey of 3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol?
The InChIKey is JCVFFEUEXSLYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-17(13-15-9-5-6-12-19-15)11-10-16(18)14-7-3-2-4-8-14/h2-4,7-8,15-16,18H,5-6,9-13H2,1H3.
What are the key properties of 3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol?
3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 62613757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).