1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol

C17H27NO2 — CID 63713345

IUPAC1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
SMILESCCc1ccc(C(O)CN(C)CC2CCCOC2)cc1
InChIInChI=1S/C17H27NO2/c1-3-14-6-8-16(9-7-14)17(19)12-18(2)11-15-5-4-10-20-13-15/h6-9,15,17,19H,3-5,10-13H2,1-2H3
InChIKeyMEKQRMMWTYYUPK-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.64
Rot. Bonds6

About 1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol

1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol (PubChem CID 63713345) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
PubChem CID63713345
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
SMILESCCc1ccc(C(O)CN(C)CC2CCCOC2)cc1
InChIInChI=1S/C17H27NO2/c1-3-14-6-8-16(9-7-14)17(19)12-18(2)11-15-5-4-10-20-13-15/h6-9,15,17,19H,3-5,10-13H2,1-2H3
InChIKeyMEKQRMMWTYYUPK-UHFFFAOYSA-N
XLogP2.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-hydroxy-2-[methyl(oxan-3-ylmethyl)amino]ethyl]benzonitrile
CID 63712020
2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
CID 63631981
2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
CID 63471920
1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
CID 63712480
1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol
CID 62860027
1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 112561683
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanoic acid
CID 63707876
2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 55125907
1-(4-fluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 107521298
(4-ethylphenyl)-(oxan-3-yl)methanol
CID 63014910
2-[cyclopropylmethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949285
N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 63468506

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol?
The IUPAC name of 1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol (CID 63713345) is 1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol?
The canonical SMILES for 1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol is CCc1ccc(C(O)CN(C)CC2CCCOC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol?
The InChIKey is MEKQRMMWTYYUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-14-6-8-16(9-7-14)17(19)12-18(2)11-15-5-4-10-20-13-15/h6-9,15,17,19H,3-5,10-13H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol?
1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol has a molecular weight of 277.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol is sourced from PubChem (CID 63713345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).