2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol

C14H20BrNO2 — CID 115673879

IUPAC2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol
SMILESCCC1(NCc2cc(Br)c(O)c(OC)c2)CCC1
InChIInChI=1S/C14H20BrNO2/c1-3-14(5-4-6-14)16-9-10-7-11(15)13(17)12(8-10)18-2/h7-8,16-17H,3-6,9H2,1-2H3
InChIKeySSDUEBWFGROCRF-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.59
Rot. Bonds5

About 2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol

2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol (PubChem CID 115673879) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol
PubChem CID115673879
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol
SMILESCCC1(NCc2cc(Br)c(O)c(OC)c2)CCC1
InChIInChI=1S/C14H20BrNO2/c1-3-14(5-4-6-14)16-9-10-7-11(15)13(17)12(8-10)18-2/h7-8,16-17H,3-6,9H2,1-2H3
InChIKeySSDUEBWFGROCRF-UHFFFAOYSA-N
XLogP3.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine
CID 115673745
2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
CID 115671303
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851086
2-bromo-6-methoxy-4-[(piperidin-1-ylamino)methyl]phenol
CID 83007367
2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol
CID 81394414
1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine
CID 115673846
2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol
CID 82709629
2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol
CID 28651774
N-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine
CID 105401701
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43400031
2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 104625173
2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol
CID 63726270

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol (CID 115673879) is 2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol is CCC1(NCc2cc(Br)c(O)c(OC)c2)CCC1.
What is the InChIKey of 2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol?
The InChIKey is SSDUEBWFGROCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-3-14(5-4-6-14)16-9-10-7-11(15)13(17)12(8-10)18-2/h7-8,16-17H,3-6,9H2,1-2H3.
What are the key properties of 2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol?
2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol has a molecular weight of 314.22 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol is sourced from PubChem (CID 115673879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).