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

C15H23NO4 — CID 79138330

IUPAC[1-(aminomethyl)cyclobutyl]-(2,3,4-trimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)C2(CN)CCC2)c(OC)c1OC
InChIInChI=1S/C15H23NO4/c1-18-11-6-5-10(12(19-2)13(11)20-3)14(17)15(9-16)7-4-8-15/h5-6,14,17H,4,7-9,16H2,1-3H3
InChIKeySWDHRISCYSELAR-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.87
Rot. Bonds6

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

[1-(aminomethyl)cyclobutyl]-(2,3,4-trimethoxyphenyl)methanol (PubChem CID 79138330) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(2,3,4-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(2,3,4-trimethoxyphenyl)methanol
PubChem CID79138330
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name[1-(aminomethyl)cyclobutyl]-(2,3,4-trimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)C2(CN)CCC2)c(OC)c1OC
InChIInChI=1S/C15H23NO4/c1-18-11-6-5-10(12(19-2)13(11)20-3)14(17)15(9-16)7-4-8-15/h5-6,14,17H,4,7-9,16H2,1-3H3
InChIKeySWDHRISCYSELAR-UHFFFAOYSA-N
XLogP1.87
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(aminomethyl)cyclobutyl]-(5-bromo-2-methoxyphenyl)methanol
CID 79135689
[1-(aminomethyl)cyclopentyl]-(2,5-dimethoxyphenyl)methanol
CID 79134964
[1-(aminomethyl)cyclopentyl]-(2,4-dimethoxyphenyl)methanol
CID 79135621
(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 97051483
[1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413444
[1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol
CID 79123387
2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol
CID 105460570
2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol
CID 65185942
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine
CID 66070513
[1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol
CID 79123286
3-[2-amino-1-(2,3,4-trimethoxyphenyl)ethoxy]butan-2-ol
CID 103377252

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(2,3,4-trimethoxyphenyl)methanol?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(2,3,4-trimethoxyphenyl)methanol (CID 79138330) is [1-(aminomethyl)cyclobutyl]-(2,3,4-trimethoxyphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(2,3,4-trimethoxyphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(2,3,4-trimethoxyphenyl)methanol is COc1ccc(C(O)C2(CN)CCC2)c(OC)c1OC.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(2,3,4-trimethoxyphenyl)methanol?
The InChIKey is SWDHRISCYSELAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-18-11-6-5-10(12(19-2)13(11)20-3)14(17)15(9-16)7-4-8-15/h5-6,14,17H,4,7-9,16H2,1-3H3.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(2,3,4-trimethoxyphenyl)methanol?
[1-(aminomethyl)cyclobutyl]-(2,3,4-trimethoxyphenyl)methanol has a molecular weight of 281.35 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(2,3,4-trimethoxyphenyl)methanol is sourced from PubChem (CID 79138330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).