4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol

C17H20BrNO2 — CID 107572080

IUPAC4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)Nc2cc(C)c(Br)c(C)c2)ccc1O
InChIInChI=1S/C17H20BrNO2/c1-10-7-14(8-11(2)17(10)18)19-12(3)13-5-6-15(20)16(9-13)21-4/h5-9,12,19-20H,1-4H3
InChIKeyJDAJUIQGNJYALE-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.95
Rot. Bonds4

About 4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol

4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol (PubChem CID 107572080) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol
PubChem CID107572080
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)Nc2cc(C)c(Br)c(C)c2)ccc1O
InChIInChI=1S/C17H20BrNO2/c1-10-7-14(8-11(2)17(10)18)19-12(3)13-5-6-15(20)16(9-13)21-4/h5-9,12,19-20H,1-4H3
InChIKeyJDAJUIQGNJYALE-UHFFFAOYSA-N
XLogP4.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 43195420
2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol
CID 107679206
4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol
CID 43194672
4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
CID 106953620
4-[1-(5-bromo-4-fluoro-2-methylanilino)ethyl]-2-methoxyphenol
CID 107591502
3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741825
4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline
CID 107572230
4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 81355826
2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol
CID 43193429
4-[1-(1,3-benzothiazol-6-ylamino)ethyl]-2-methoxyphenol
CID 107803903
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylaniline
CID 43763980
2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131291

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol (CID 107572080) is 4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol is COc1cc(C(C)Nc2cc(C)c(Br)c(C)c2)ccc1O.
What is the InChIKey of 4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol?
The InChIKey is JDAJUIQGNJYALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-10-7-14(8-11(2)17(10)18)19-12(3)13-5-6-15(20)16(9-13)21-4/h5-9,12,19-20H,1-4H3.
What are the key properties of 4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol?
4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol has a molecular weight of 350.26 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol is sourced from PubChem (CID 107572080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).