2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol

C15H24BrNO2 — CID 82977073

IUPAC2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol
SMILESCCOc1cc(CN(C)C(CC)CC)cc(Br)c1O
InChIInChI=1S/C15H24BrNO2/c1-5-12(6-2)17(4)10-11-8-13(16)15(18)14(9-11)19-7-3/h8-9,12,18H,5-7,10H2,1-4H3
InChIKeyCYLHHQJNVGFMAS-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.17
Rot. Bonds7

About 2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol

2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol (PubChem CID 82977073) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol
PubChem CID82977073
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol
SMILESCCOc1cc(CN(C)C(CC)CC)cc(Br)c1O
InChIInChI=1S/C15H24BrNO2/c1-5-12(6-2)17(4)10-11-8-13(16)15(18)14(9-11)19-7-3/h8-9,12,18H,5-7,10H2,1-4H3
InChIKeyCYLHHQJNVGFMAS-UHFFFAOYSA-N
XLogP4.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-[(dibutylamino)methyl]-6-ethoxyphenol
CID 82958008
4-(2-aminopropyl)-2-bromo-6-ethoxyphenol
CID 79020961
2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol
CID 107740214
4-(3-aminobutyl)-2-bromo-6-ethoxyphenol
CID 83954219
2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol
CID 82982146
2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976773
2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol
CID 82966035
2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976872
2-bromo-6-ethoxy-4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenol
CID 82958626
4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol
CID 66516017
3-methoxy-5-[[methyl(pentan-3-yl)amino]methyl]aniline
CID 81149781
4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol
CID 171227057

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol?
The IUPAC name of 2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol (CID 82977073) is 2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol is CCOc1cc(CN(C)C(CC)CC)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol?
The InChIKey is CYLHHQJNVGFMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-5-12(6-2)17(4)10-11-8-13(16)15(18)14(9-11)19-7-3/h8-9,12,18H,5-7,10H2,1-4H3.
What are the key properties of 2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol?
2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol has a molecular weight of 330.27 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol is sourced from PubChem (CID 82977073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).