2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol

C14H22BrNO2 — CID 82981827

IUPAC2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
SMILESCOCCN(Cc1ccc(O)c(Br)c1)CC(C)C
InChIInChI=1S/C14H22BrNO2/c1-11(2)9-16(6-7-18-3)10-12-4-5-14(17)13(15)8-12/h4-5,8,11,17H,6-7,9-10H2,1-3H3
InChIKeyJJZZWFUDORMMJW-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.26
Rot. Bonds7

About 2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol

2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol (PubChem CID 82981827) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
PubChem CID82981827
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
SMILESCOCCN(Cc1ccc(O)c(Br)c1)CC(C)C
InChIInChI=1S/C14H22BrNO2/c1-11(2)9-16(6-7-18-3)10-12-4-5-14(17)13(15)8-12/h4-5,8,11,17H,6-7,9-10H2,1-3H3
InChIKeyJJZZWFUDORMMJW-UHFFFAOYSA-N
XLogP3.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
CID 82982520
2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
CID 82985781
2-bromo-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
CID 82986263
2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol
CID 82977021
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline
CID 54985891
2-bromo-4-[[3-methoxypropyl(methyl)amino]methyl]phenol
CID 82979793
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65338850
2-methoxy-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarbothioamide
CID 106788809
2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid
CID 105345830
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 54985987
tert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]-N-(2-methoxyethyl)carbamate
CID 166176544
4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol
CID 107694004

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol (CID 82981827) is 2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol is COCCN(Cc1ccc(O)c(Br)c1)CC(C)C.
What is the InChIKey of 2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol?
The InChIKey is JJZZWFUDORMMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-11(2)9-16(6-7-18-3)10-12-4-5-14(17)13(15)8-12/h4-5,8,11,17H,6-7,9-10H2,1-3H3.
What are the key properties of 2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol?
2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol has a molecular weight of 316.24 g/mol, XLogP of 3.26, 7 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(2-methylpropyl)amino]methyl]phenol is sourced from PubChem (CID 82981827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).