2-bromo-4-[(dibutylamino)methyl]-6-ethoxyphenol

C17H28BrNO2 — CID 82958008

IUPAC2-bromo-4-[(dibutylamino)methyl]-6-ethoxyphenol
SMILESCCCCN(CCCC)Cc1cc(Br)c(O)c(OCC)c1
InChIInChI=1S/C17H28BrNO2/c1-4-7-9-19(10-8-5-2)13-14-11-15(18)17(20)16(12-14)21-6-3/h11-12,20H,4-10,13H2,1-3H3
InChIKeyYZONZPSXLPMJQJ-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.96
Rot. Bonds10

About 2-bromo-4-[(dibutylamino)methyl]-6-ethoxyphenol

2-bromo-4-[(dibutylamino)methyl]-6-ethoxyphenol (PubChem CID 82958008) has the molecular formula C17H28BrNO2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-bromo-4-[(dibutylamino)methyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[(dibutylamino)methyl]-6-ethoxyphenol
PubChem CID82958008
Molecular FormulaC17H28BrNO2
Molecular Weight358.32 g/mol
Exact Mass357.13
IUPAC Name2-bromo-4-[(dibutylamino)methyl]-6-ethoxyphenol
SMILESCCCCN(CCCC)Cc1cc(Br)c(O)c(OCC)c1
InChIInChI=1S/C17H28BrNO2/c1-4-7-9-19(10-8-5-2)13-14-11-15(18)17(20)16(12-14)21-6-3/h11-12,20H,4-10,13H2,1-3H3
InChIKeyYZONZPSXLPMJQJ-UHFFFAOYSA-N
XLogP4.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977073
2-[butyl-[(3,5-dibromo-4-hydroxyphenyl)methyl]amino]acetamide
CID 107740264
2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol
CID 82978596
4-(2-aminopropyl)-2-bromo-6-ethoxyphenol
CID 79020961
4-(3-aminobutyl)-2-bromo-6-ethoxyphenol
CID 83954219
2-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl-propylamino]acetic acid
CID 122040192
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(2-chloroethyl)butan-1-amine
CID 63389227
2-[butyl-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]amino]acetamide
CID 82959006
2-bromo-6-ethoxy-4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenol
CID 82958626
4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 45259533
4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol
CID 82975285
3-[(dibutylamino)methyl]-5-methoxyaniline
CID 81149053

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(dibutylamino)methyl]-6-ethoxyphenol?
The IUPAC name of 2-bromo-4-[(dibutylamino)methyl]-6-ethoxyphenol (CID 82958008) is 2-bromo-4-[(dibutylamino)methyl]-6-ethoxyphenol.
What is the SMILES notation for 2-bromo-4-[(dibutylamino)methyl]-6-ethoxyphenol?
The canonical SMILES for 2-bromo-4-[(dibutylamino)methyl]-6-ethoxyphenol is CCCCN(CCCC)Cc1cc(Br)c(O)c(OCC)c1.
What is the InChIKey of 2-bromo-4-[(dibutylamino)methyl]-6-ethoxyphenol?
The InChIKey is YZONZPSXLPMJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO2/c1-4-7-9-19(10-8-5-2)13-14-11-15(18)17(20)16(12-14)21-6-3/h11-12,20H,4-10,13H2,1-3H3.
What are the key properties of 2-bromo-4-[(dibutylamino)methyl]-6-ethoxyphenol?
2-bromo-4-[(dibutylamino)methyl]-6-ethoxyphenol has a molecular weight of 358.32 g/mol, XLogP of 4.96, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(dibutylamino)methyl]-6-ethoxyphenol is sourced from PubChem (CID 82958008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).