1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol

C15H23NO4 — CID 115621533

IUPAC1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol
SMILESCOc1cc(OC)c(OC)cc1CNCC1(O)CCC1
InChIInChI=1S/C15H23NO4/c1-18-12-8-14(20-3)13(19-2)7-11(12)9-16-10-15(17)5-4-6-15/h7-8,16-17H,4-6,9-10H2,1-3H3
InChIKeyUJOMCCOEKKGKIT-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.72
Rot. Bonds7

About 1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol

1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol (PubChem CID 115621533) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol
PubChem CID115621533
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol
SMILESCOc1cc(OC)c(OC)cc1CNCC1(O)CCC1
InChIInChI=1S/C15H23NO4/c1-18-12-8-14(20-3)13(19-2)7-11(12)9-16-10-15(17)5-4-6-15/h7-8,16-17H,4-6,9-10H2,1-3H3
InChIKeyUJOMCCOEKKGKIT-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

N-[(1-methylcyclopropyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 103724305
1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 63362793
1-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]methyl]cyclopentan-1-ol
CID 78954759
1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43317257
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol
CID 115978586
1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 104791869
1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115646
1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 111114436
1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60969780
4-[[(2,5-dichloro-4-methoxyphenyl)methylamino]methyl]thian-4-ol
CID 109379804
1-[[(2-methoxy-4,5-dimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245252
(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol
CID 51434639

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol (CID 115621533) is 1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol is COc1cc(OC)c(OC)cc1CNCC1(O)CCC1.
What is the InChIKey of 1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol?
The InChIKey is UJOMCCOEKKGKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-18-12-8-14(20-3)13(19-2)7-11(12)9-16-10-15(17)5-4-6-15/h7-8,16-17H,4-6,9-10H2,1-3H3.
What are the key properties of 1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol?
1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol 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-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 115621533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).