[1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol

C16H25NO3 — CID 91836426

IUPAC[1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol
SMILESCOc1ccccc1OCCN(C)CC1(CO)CCC1
InChIInChI=1S/C16H25NO3/c1-17(12-16(13-18)8-5-9-16)10-11-20-15-7-4-3-6-14(15)19-2/h3-4,6-7,18H,5,8-13H2,1-2H3
InChIKeyPEBVSZHXPVGBLS-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.17
Rot. Bonds8

About [1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol

[1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol (PubChem CID 91836426) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is [1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol
PubChem CID91836426
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name[1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol
SMILESCOc1ccccc1OCCN(C)CC1(CO)CCC1
InChIInChI=1S/C16H25NO3/c1-17(12-16(13-18)8-5-9-16)10-11-20-15-7-4-3-6-14(15)19-2/h3-4,6-7,18H,5,8-13H2,1-2H3
InChIKeyPEBVSZHXPVGBLS-UHFFFAOYSA-N
XLogP2.17
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol (CID 91836426) is [1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol is COc1ccccc1OCCN(C)CC1(CO)CCC1.
What is the InChIKey of [1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol?
The InChIKey is PEBVSZHXPVGBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-17(12-16(13-18)8-5-9-16)10-11-20-15-7-4-3-6-14(15)19-2/h3-4,6-7,18H,5,8-13H2,1-2H3.
What are the key properties of [1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol?
[1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol has a molecular weight of 279.38 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 91836426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).