4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol

C15H23NO4 — CID 103917436

IUPAC4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol
SMILESCCOC1CC(NCc2cc(OC)c(O)c(OC)c2)C1
InChIInChI=1S/C15H23NO4/c1-4-20-12-7-11(8-12)16-9-10-5-13(18-2)15(17)14(6-10)19-3/h5-6,11-12,16-17H,4,7-9H2,1-3H3
InChIKeyKWHBVZJWJIGMND-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.07
Rot. Bonds7

About 4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol

4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol (PubChem CID 103917436) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol
PubChem CID103917436
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol
SMILESCCOC1CC(NCc2cc(OC)c(O)c(OC)c2)C1
InChIInChI=1S/C15H23NO4/c1-4-20-12-7-11(8-12)16-9-10-5-13(18-2)15(17)14(6-10)19-3/h5-6,11-12,16-17H,4,7-9H2,1-3H3
InChIKeyKWHBVZJWJIGMND-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 102610287
3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine
CID 103920966
4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol
CID 28609983
4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol
CID 60957872
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 103917716
4-[[(1,1-dioxothian-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 43614860
2,6-dimethoxy-4-[(thiolan-3-ylamino)methyl]phenol
CID 113260995
N-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 102610336
N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine
CID 103917694
2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 63455694
3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine
CID 103270597
4-[[(3-ethoxycyclobutyl)amino]methyl]-2-fluoroaniline
CID 114119839

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol (CID 103917436) is 4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol is CCOC1CC(NCc2cc(OC)c(O)c(OC)c2)C1.
What is the InChIKey of 4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol?
The InChIKey is KWHBVZJWJIGMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-20-12-7-11(8-12)16-9-10-5-13(18-2)15(17)14(6-10)19-3/h5-6,11-12,16-17H,4,7-9H2,1-3H3.
What are the key properties of 4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol?
4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol has a molecular weight of 281.35 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 103917436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).