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

C16H25NO2 — CID 112678972

IUPAC1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N(C)CC1CCCOC1
InChIInChI=1S/C16H25NO2/c1-3-16(18)14-8-4-5-9-15(14)17(2)11-13-7-6-10-19-12-13/h4-5,8-9,13,16,18H,3,6-7,10-12H2,1-2H3
InChIKeyGRHRTFNCNPVTRE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.99
Rot. Bonds5

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

1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol (PubChem CID 112678972) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol
PubChem CID112678972
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N(C)CC1CCCOC1
InChIInChI=1S/C16H25NO2/c1-3-16(18)14-8-4-5-9-15(14)17(2)11-13-7-6-10-19-12-13/h4-5,8-9,13,16,18H,3,6-7,10-12H2,1-2H3
InChIKeyGRHRTFNCNPVTRE-UHFFFAOYSA-N
XLogP2.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678870
1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678841
1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]ethanone
CID 63711171
N'-hydroxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
CID 76951613
1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
CID 63712480
(1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol
CID 55247704
(1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol
CID 78940236
(1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol
CID 103960164
2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63713314
2-(1-aminopropyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 112678152
2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 103958935
1-[3-bromo-4-[methyl(oxan-3-ylmethyl)amino]phenyl]ethanol
CID 63711363

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol?
The IUPAC name of 1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol (CID 112678972) is 1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol?
The canonical SMILES for 1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol is CCC(O)c1ccccc1N(C)CC1CCCOC1.
What is the InChIKey of 1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol?
The InChIKey is GRHRTFNCNPVTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-16(18)14-8-4-5-9-15(14)17(2)11-13-7-6-10-19-12-13/h4-5,8-9,13,16,18H,3,6-7,10-12H2,1-2H3.
What are the key properties of 1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol?
1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 112678972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).