1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol

C17H27NO3 — CID 63712480

IUPAC1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
SMILESCCOc1ccccc1C(O)CN(C)CC1CCCOC1
InChIInChI=1S/C17H27NO3/c1-3-21-17-9-5-4-8-15(17)16(19)12-18(2)11-14-7-6-10-20-13-14/h4-5,8-9,14,16,19H,3,6-7,10-13H2,1-2H3
InChIKeyPONPMSYPTWWJCL-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.48
Rot. Bonds7

About 1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol

1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol (PubChem CID 63712480) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
PubChem CID63712480
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
SMILESCCOc1ccccc1C(O)CN(C)CC1CCCOC1
InChIInChI=1S/C17H27NO3/c1-3-21-17-9-5-4-8-15(17)16(19)12-18(2)11-14-7-6-10-20-13-14/h4-5,8-9,14,16,19H,3,6-7,10-13H2,1-2H3
InChIKeyPONPMSYPTWWJCL-UHFFFAOYSA-N
XLogP2.48
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-2-[methyl(oxolan-3-yl)amino]ethanol
CID 82748181
1-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol
CID 63273824
1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
CID 63713345
1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol
CID 112678972
N'-(cyclopentylmethyl)-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 63632634
4-[1-hydroxy-2-[methyl(oxan-3-ylmethyl)amino]ethyl]benzonitrile
CID 63712020
(1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol
CID 107135067
1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 112561683
2-[2-(dimethylamino)ethyl-methylamino]-1-(2-ethoxyphenyl)ethanol
CID 55228321
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanoic acid
CID 63707876
N-methyl-3-(2-methylphenoxy)-N-[[(3S)-oxan-3-yl]methyl]propan-1-amine
CID 124548860
1-(2-ethoxyphenyl)-2-(oxan-4-ylmethoxy)ethanol
CID 62383597

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol?
The IUPAC name of 1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol (CID 63712480) is 1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol is CCOc1ccccc1C(O)CN(C)CC1CCCOC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol?
The InChIKey is PONPMSYPTWWJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-21-17-9-5-4-8-15(17)16(19)12-18(2)11-14-7-6-10-20-13-14/h4-5,8-9,14,16,19H,3,6-7,10-13H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol?
1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol has a molecular weight of 293.41 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol is sourced from PubChem (CID 63712480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).