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

C15H24BrNO2 — CID 82986263

IUPAC2-bromo-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
SMILESCCC(CC)N(CCOC)Cc1ccc(O)c(Br)c1
InChIInChI=1S/C15H24BrNO2/c1-4-13(5-2)17(8-9-19-3)11-12-6-7-15(18)14(16)10-12/h6-7,10,13,18H,4-5,8-9,11H2,1-3H3
InChIKeySDCFMQMXSRLZBA-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.79
Rot. Bonds8

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

2-bromo-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol (PubChem CID 82986263) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-bromo-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
PubChem CID82986263
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name2-bromo-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
SMILESCCC(CC)N(CCOC)Cc1ccc(O)c(Br)c1
InChIInChI=1S/C15H24BrNO2/c1-4-13(5-2)17(8-9-19-3)11-12-6-7-15(18)14(16)10-12/h6-7,10,13,18H,4-5,8-9,11H2,1-3H3
InChIKeySDCFMQMXSRLZBA-UHFFFAOYSA-N
XLogP3.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
CID 82985781
2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
CID 82958280
2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
CID 82981827
2-bromo-4-[[3-methoxypropyl(methyl)amino]methyl]phenol
CID 82979793
2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
CID 107740294
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-2-methoxyphenol
CID 82986315
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine
CID 54942276
tert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]-N-(2-methoxyethyl)carbamate
CID 166176544
2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile
CID 65344071
N-(2-methoxyethyl)-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pentan-3-amine
CID 105347567
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyridin-3-ol
CID 82986415
2-ethoxy-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenol
CID 82983167

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol (CID 82986263) is 2-bromo-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol is CCC(CC)N(CCOC)Cc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol?
The InChIKey is SDCFMQMXSRLZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-4-13(5-2)17(8-9-19-3)11-12-6-7-15(18)14(16)10-12/h6-7,10,13,18H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-bromo-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol?
2-bromo-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol has a molecular weight of 330.27 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol is sourced from PubChem (CID 82986263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).