4-bromo-2-[1-(2-methoxy-N-methylanilino)ethyl]phenol

C16H18BrNO2 — CID 82978208

IUPAC4-bromo-2-[1-(2-methoxy-N-methylanilino)ethyl]phenol
SMILESCOc1ccccc1N(C)C(C)c1cc(Br)ccc1O
InChIInChI=1S/C16H18BrNO2/c1-11(13-10-12(17)8-9-15(13)19)18(2)14-6-4-5-7-16(14)20-3/h4-11,19H,1-3H3
InChIKeyGDORCZKVMXTOIJ-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.36
Rot. Bonds4

About 4-bromo-2-[1-(2-methoxy-N-methylanilino)ethyl]phenol

4-bromo-2-[1-(2-methoxy-N-methylanilino)ethyl]phenol (PubChem CID 82978208) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-bromo-2-[1-(2-methoxy-N-methylanilino)ethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[1-(2-methoxy-N-methylanilino)ethyl]phenol
PubChem CID82978208
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name4-bromo-2-[1-(2-methoxy-N-methylanilino)ethyl]phenol
SMILESCOc1ccccc1N(C)C(C)c1cc(Br)ccc1O
InChIInChI=1S/C16H18BrNO2/c1-11(13-10-12(17)8-9-15(13)19)18(2)14-6-4-5-7-16(14)20-3/h4-11,19H,1-3H3
InChIKeyGDORCZKVMXTOIJ-UHFFFAOYSA-N
XLogP4.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[1-(N-methylanilino)ethyl]phenol
CID 82974570
4-bromo-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol
CID 82979584
5-bromo-2-(2-methoxy-N-methylanilino)benzenecarbothioamide
CID 114891662
4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol
CID 82974436
4-bromo-2-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol
CID 82981118
4-bromo-2-[1-[cyclohexyl(methyl)amino]ethyl]phenol
CID 82974466
1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol
CID 62911327
2-(6-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)-N-methylacetamide
CID 55887630
1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol
CID 62619697
2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 103885573
2-[1-(3-methoxy-N-methylanilino)ethyl]phenol
CID 82982610
3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide
CID 103908080

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-(2-methoxy-N-methylanilino)ethyl]phenol?
The IUPAC name of 4-bromo-2-[1-(2-methoxy-N-methylanilino)ethyl]phenol (CID 82978208) is 4-bromo-2-[1-(2-methoxy-N-methylanilino)ethyl]phenol.
What is the SMILES notation for 4-bromo-2-[1-(2-methoxy-N-methylanilino)ethyl]phenol?
The canonical SMILES for 4-bromo-2-[1-(2-methoxy-N-methylanilino)ethyl]phenol is COc1ccccc1N(C)C(C)c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[1-(2-methoxy-N-methylanilino)ethyl]phenol?
The InChIKey is GDORCZKVMXTOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-11(13-10-12(17)8-9-15(13)19)18(2)14-6-4-5-7-16(14)20-3/h4-11,19H,1-3H3.
What are the key properties of 4-bromo-2-[1-(2-methoxy-N-methylanilino)ethyl]phenol?
4-bromo-2-[1-(2-methoxy-N-methylanilino)ethyl]phenol has a molecular weight of 336.23 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[1-(2-methoxy-N-methylanilino)ethyl]phenol is sourced from PubChem (CID 82978208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).