1-(3-methoxyphenyl)-2-[methyl(oxolan-3-ylmethyl)amino]ethanol

C15H23NO3 — CID 111799291

IUPAC1-(3-methoxyphenyl)-2-[methyl(oxolan-3-ylmethyl)amino]ethanol
SMILESCOc1cccc(C(O)CN(C)CC2CCOC2)c1
InChIInChI=1S/C15H23NO3/c1-16(9-12-6-7-19-11-12)10-15(17)13-4-3-5-14(8-13)18-2/h3-5,8,12,15,17H,6-7,9-11H2,1-2H3
InChIKeyBNFUKCXDBWEBNH-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.70
Rot. Bonds6

About 1-(3-methoxyphenyl)-2-[methyl(oxolan-3-ylmethyl)amino]ethanol

1-(3-methoxyphenyl)-2-[methyl(oxolan-3-ylmethyl)amino]ethanol (PubChem CID 111799291) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[methyl(oxolan-3-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[methyl(oxolan-3-ylmethyl)amino]ethanol
PubChem CID111799291
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(3-methoxyphenyl)-2-[methyl(oxolan-3-ylmethyl)amino]ethanol
SMILESCOc1cccc(C(O)CN(C)CC2CCOC2)c1
InChIInChI=1S/C15H23NO3/c1-16(9-12-6-7-19-11-12)10-15(17)13-4-3-5-14(8-13)18-2/h3-5,8,12,15,17H,6-7,9-11H2,1-2H3
InChIKeyBNFUKCXDBWEBNH-UHFFFAOYSA-N
XLogP1.70
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol
CID 63725224
3-[(1S)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97319807
3-[(1R)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97319808
2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 63954429
(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81376792
1-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]-3-methoxypropan-2-ol
CID 79006411
1-(3-methoxyphenyl)-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 63726760
1-(3-methoxyphenyl)-2-[methyl(piperidin-4-yl)amino]ethanol
CID 81133297
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62862003
2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81133808
methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate
CID 78966550
1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
CID 63713345

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[methyl(oxolan-3-ylmethyl)amino]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[methyl(oxolan-3-ylmethyl)amino]ethanol (CID 111799291) is 1-(3-methoxyphenyl)-2-[methyl(oxolan-3-ylmethyl)amino]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[methyl(oxolan-3-ylmethyl)amino]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[methyl(oxolan-3-ylmethyl)amino]ethanol is COc1cccc(C(O)CN(C)CC2CCOC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[methyl(oxolan-3-ylmethyl)amino]ethanol?
The InChIKey is BNFUKCXDBWEBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-16(9-12-6-7-19-11-12)10-15(17)13-4-3-5-14(8-13)18-2/h3-5,8,12,15,17H,6-7,9-11H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[methyl(oxolan-3-ylmethyl)amino]ethanol?
1-(3-methoxyphenyl)-2-[methyl(oxolan-3-ylmethyl)amino]ethanol has a molecular weight of 265.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[methyl(oxolan-3-ylmethyl)amino]ethanol is sourced from PubChem (CID 111799291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).