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

C14H21NO3 — CID 115733291

IUPAC[1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol
SMILESCOc1ccc(CNC2(CO)CCC2)cc1OC
InChIInChI=1S/C14H21NO3/c1-17-12-5-4-11(8-13(12)18-2)9-15-14(10-16)6-3-7-14/h4-5,8,15-16H,3,6-7,9-10H2,1-2H3
InChIKeyFGWROKVAEBRHET-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.71
Rot. Bonds6

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

[1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol (PubChem CID 115733291) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol
PubChem CID115733291
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name[1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol
SMILESCOc1ccc(CNC2(CO)CCC2)cc1OC
InChIInChI=1S/C14H21NO3/c1-17-12-5-4-11(8-13(12)18-2)9-15-14(10-16)6-3-7-14/h4-5,8,15-16H,3,6-7,9-10H2,1-2H3
InChIKeyFGWROKVAEBRHET-UHFFFAOYSA-N
XLogP1.71
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 62519917
[1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol
CID 115733413
[1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol
CID 115733318
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
[1-[(3,4,5-trimethoxyphenyl)methylamino]cyclopropyl]methanol
CID 115762979
1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine
CID 115673846
[1-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutyl]methanol
CID 115733194
N-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine
CID 115673745
1-[(3,4-dimethoxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 28702708
1-amino-N-[(3,4-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119263568
[1-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexyl]methanol
CID 115909570
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol?
The IUPAC name of [1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol (CID 115733291) is [1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol.
What is the SMILES notation for [1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol?
The canonical SMILES for [1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol is COc1ccc(CNC2(CO)CCC2)cc1OC.
What is the InChIKey of [1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol?
The InChIKey is FGWROKVAEBRHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-12-5-4-11(8-13(12)18-2)9-15-14(10-16)6-3-7-14/h4-5,8,15-16H,3,6-7,9-10H2,1-2H3.
What are the key properties of [1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol?
[1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol has a molecular weight of 251.33 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol is sourced from PubChem (CID 115733291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).