4-bromo-3-[[butyl(ethyl)amino]methyl]phenol

C13H20BrNO — CID 82974913

IUPAC4-bromo-3-[[butyl(ethyl)amino]methyl]phenol
SMILESCCCCN(CC)Cc1cc(O)ccc1Br
InChIInChI=1S/C13H20BrNO/c1-3-5-8-15(4-2)10-11-9-12(16)6-7-13(11)14/h6-7,9,16H,3-5,8,10H2,1-2H3
InChIKeyZQAXZJHCGAPTKD-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.78
Rot. Bonds6

About 4-bromo-3-[[butyl(ethyl)amino]methyl]phenol

4-bromo-3-[[butyl(ethyl)amino]methyl]phenol (PubChem CID 82974913) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 4-bromo-3-[[butyl(ethyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-bromo-3-[[butyl(ethyl)amino]methyl]phenol
PubChem CID82974913
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name4-bromo-3-[[butyl(ethyl)amino]methyl]phenol
SMILESCCCCN(CC)Cc1cc(O)ccc1Br
InChIInChI=1S/C13H20BrNO/c1-3-5-8-15(4-2)10-11-9-12(16)6-7-13(11)14/h6-7,9,16H,3-5,8,10H2,1-2H3
InChIKeyZQAXZJHCGAPTKD-UHFFFAOYSA-N
XLogP3.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-[[ethyl(2-methylbutyl)amino]methyl]phenol
CID 82983837
2-[(2-bromo-5-hydroxyphenyl)methyl-propylamino]acetic acid
CID 122040276
4-bromo-3-hexylphenol
CID 15007737
3-[[bis(3-methylbutyl)amino]methyl]-4-bromophenol
CID 107871875
4-bromo-3-[[propan-2-yl(propyl)amino]methyl]phenol
CID 82977711
N-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine
CID 55220419
4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol
CID 82975285
N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine
CID 60688736
N-(2-bromoethyl)-N-[(2-bromophenyl)methyl]butan-1-amine
CID 80672295
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylbutan-1-amine
CID 106268403
[3-bromo-4-[(dibutylamino)methyl]phenyl]methanol
CID 11624042
N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylpropan-1-amine
CID 143282104

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[[butyl(ethyl)amino]methyl]phenol?
The IUPAC name of 4-bromo-3-[[butyl(ethyl)amino]methyl]phenol (CID 82974913) is 4-bromo-3-[[butyl(ethyl)amino]methyl]phenol.
What is the SMILES notation for 4-bromo-3-[[butyl(ethyl)amino]methyl]phenol?
The canonical SMILES for 4-bromo-3-[[butyl(ethyl)amino]methyl]phenol is CCCCN(CC)Cc1cc(O)ccc1Br.
What is the InChIKey of 4-bromo-3-[[butyl(ethyl)amino]methyl]phenol?
The InChIKey is ZQAXZJHCGAPTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-3-5-8-15(4-2)10-11-9-12(16)6-7-13(11)14/h6-7,9,16H,3-5,8,10H2,1-2H3.
What are the key properties of 4-bromo-3-[[butyl(ethyl)amino]methyl]phenol?
4-bromo-3-[[butyl(ethyl)amino]methyl]phenol has a molecular weight of 286.21 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[[butyl(ethyl)amino]methyl]phenol is sourced from PubChem (CID 82974913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).