[1-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutyl]methanol

C15H23NO4 — CID 115733194

IUPAC[1-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutyl]methanol
SMILESCOc1ccc(CNC2(CO)CCC2)c(OC)c1OC
InChIInChI=1S/C15H23NO4/c1-18-12-6-5-11(13(19-2)14(12)20-3)9-16-15(10-17)7-4-8-15/h5-6,16-17H,4,7-10H2,1-3H3
InChIKeyYHKQHFPMJJHSFR-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.72
Rot. Bonds7

About [1-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutyl]methanol

[1-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutyl]methanol (PubChem CID 115733194) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is [1-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutyl]methanol
PubChem CID115733194
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name[1-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutyl]methanol
SMILESCOc1ccc(CNC2(CO)CCC2)c(OC)c1OC
InChIInChI=1S/C15H23NO4/c1-18-12-6-5-11(13(19-2)14(12)20-3)9-16-15(10-17)7-4-8-15/h5-6,16-17H,4,7-10H2,1-3H3
InChIKeyYHKQHFPMJJHSFR-UHFFFAOYSA-N
XLogP1.72
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol
CID 115733291
N'-[(2,3,4-trimethoxyphenyl)methyl]-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;trihydrochloride
CID 139593123
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 107267050
1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119285335
[1-[(3,4,5-trimethoxyphenyl)methylamino]cyclopropyl]methanol
CID 115762979
[1-[(3,5-dichloro-2-methoxyphenyl)methylamino]cyclopentyl]methanol
CID 75494808
[1-[(3-methoxythiophen-2-yl)methylamino]cyclopentyl]methanol
CID 115711097
[1-[(2-methylphenyl)methylamino]cyclobutyl]methanol
CID 115733245
[1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62551822
[1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol
CID 115733413
1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117349180
2-[(2,3,4-trimethoxyphenyl)methylamino]acetonitrile
CID 139371375

Frequently Asked Questions

What is the IUPAC name of [1-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutyl]methanol?
The IUPAC name of [1-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutyl]methanol (CID 115733194) is [1-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutyl]methanol.
What is the SMILES notation for [1-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutyl]methanol?
The canonical SMILES for [1-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutyl]methanol is COc1ccc(CNC2(CO)CCC2)c(OC)c1OC.
What is the InChIKey of [1-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutyl]methanol?
The InChIKey is YHKQHFPMJJHSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-18-12-6-5-11(13(19-2)14(12)20-3)9-16-15(10-17)7-4-8-15/h5-6,16-17H,4,7-10H2,1-3H3.
What are the key properties of [1-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutyl]methanol?
[1-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutyl]methanol has a molecular weight of 281.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutyl]methanol is sourced from PubChem (CID 115733194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).