4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol

C16H18BrNO2 — CID 60735183

IUPAC4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol
SMILESCCOc1cc(CNCc2ccc(Br)cc2)ccc1O
InChIInChI=1S/C16H18BrNO2/c1-2-20-16-9-13(5-8-15(16)19)11-18-10-12-3-6-14(17)7-4-12/h3-9,18-19H,2,10-11H2,1H3
InChIKeyKABVLTIKIASWTI-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.84
Rot. Bonds6

About 4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol

4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol (PubChem CID 60735183) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol
PubChem CID60735183
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol
SMILESCCOc1cc(CNCc2ccc(Br)cc2)ccc1O
InChIInChI=1S/C16H18BrNO2/c1-2-20-16-9-13(5-8-15(16)19)11-18-10-12-3-6-14(17)7-4-12/h3-9,18-19H,2,10-11H2,1H3
InChIKeyKABVLTIKIASWTI-UHFFFAOYSA-N
XLogP3.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 60736257
2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 53256552
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol
CID 64570279
2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
CID 55081400
2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
CID 63044819
2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol
CID 60960431
2-ethoxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 106143749
2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde
CID 54156927
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol
CID 103851618
3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83110402

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol?
The IUPAC name of 4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol (CID 60735183) is 4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol is CCOc1cc(CNCc2ccc(Br)cc2)ccc1O.
What is the InChIKey of 4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol?
The InChIKey is KABVLTIKIASWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-2-20-16-9-13(5-8-15(16)19)11-18-10-12-3-6-14(17)7-4-12/h3-9,18-19H,2,10-11H2,1H3.
What are the key properties of 4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol?
4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol has a molecular weight of 336.23 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol is sourced from PubChem (CID 60735183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).