2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol

C13H20N2O2 — CID 81133808

IUPAC2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CN(C)C2CNC2)c1
InChIInChI=1S/C13H20N2O2/c1-15(11-7-14-8-11)9-13(16)10-4-3-5-12(6-10)17-2/h3-6,11,13-14,16H,7-9H2,1-2H3
InChIKeyWOBBIKYCFPMYDJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.63
Rot. Bonds5

About 2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol

2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol (PubChem CID 81133808) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol
PubChem CID81133808
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Name2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CN(C)C2CNC2)c1
InChIInChI=1S/C13H20N2O2/c1-15(11-7-14-8-11)9-13(16)10-4-3-5-12(6-10)17-2/h3-6,11,13-14,16H,7-9H2,1-2H3
InChIKeyWOBBIKYCFPMYDJ-UHFFFAOYSA-N
XLogP0.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-[methyl(piperidin-4-yl)amino]ethanol
CID 81133297
2-[azetidin-3-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81133809
2-(2,6-dimethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 81133921
1-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]-3-methoxypropan-2-ol
CID 79006411
2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 81134882
2-cyclopropyl-2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 110629573
2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 63954429
4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110291005
3-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 81134486
2-[cyanomethyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetonitrile
CID 81137106
methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate
CID 78966550
1-(3-methoxyphenyl)-2-[methyl(oxolan-3-ylmethyl)amino]ethanol
CID 111799291

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol (CID 81133808) is 2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CN(C)C2CNC2)c1.
What is the InChIKey of 2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is WOBBIKYCFPMYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(11-7-14-8-11)9-13(16)10-4-3-5-12(6-10)17-2/h3-6,11,13-14,16H,7-9H2,1-2H3.
What are the key properties of 2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol?
2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 236.32 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81133808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).