2-(4-bromo-2-ethylanilino)-1-(4-methoxyphenyl)ethanol

C17H20BrNO2 — CID 81288515

IUPAC2-(4-bromo-2-ethylanilino)-1-(4-methoxyphenyl)ethanol
SMILESCCc1cc(Br)ccc1NCC(O)c1ccc(OC)cc1
InChIInChI=1S/C17H20BrNO2/c1-3-12-10-14(18)6-9-16(12)19-11-17(20)13-4-7-15(21-2)8-5-13/h4-10,17,19-20H,3,11H2,1-2H3
InChIKeyOFXJDPDOEWAMPR-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.17
Rot. Bonds6

About 2-(4-bromo-2-ethylanilino)-1-(4-methoxyphenyl)ethanol

2-(4-bromo-2-ethylanilino)-1-(4-methoxyphenyl)ethanol (PubChem CID 81288515) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-(4-bromo-2-ethylanilino)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-ethylanilino)-1-(4-methoxyphenyl)ethanol
PubChem CID81288515
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name2-(4-bromo-2-ethylanilino)-1-(4-methoxyphenyl)ethanol
SMILESCCc1cc(Br)ccc1NCC(O)c1ccc(OC)cc1
InChIInChI=1S/C17H20BrNO2/c1-3-12-10-14(18)6-9-16(12)19-11-17(20)13-4-7-15(21-2)8-5-13/h4-10,17,19-20H,3,11H2,1-2H3
InChIKeyOFXJDPDOEWAMPR-UHFFFAOYSA-N
XLogP4.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 60896340
2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol
CID 60898183
(2S)-3-(4-bromo-2-ethylanilino)propane-1,2-diol
CID 81292963
4-bromo-2-ethyl-N-(2-methylpropyl)aniline
CID 81292281
1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol
CID 62871336
2-(4-ethylanilino)-1-(4-methoxyphenyl)ethanol
CID 60901649
2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134139
1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644674
2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 107634665
2-(5-bromo-2-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 81135103
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
CID 81291722
3-fluoro-4-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]benzonitrile
CID 78916072

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-ethylanilino)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-(4-bromo-2-ethylanilino)-1-(4-methoxyphenyl)ethanol (CID 81288515) is 2-(4-bromo-2-ethylanilino)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-ethylanilino)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(4-bromo-2-ethylanilino)-1-(4-methoxyphenyl)ethanol is CCc1cc(Br)ccc1NCC(O)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-bromo-2-ethylanilino)-1-(4-methoxyphenyl)ethanol?
The InChIKey is OFXJDPDOEWAMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-3-12-10-14(18)6-9-16(12)19-11-17(20)13-4-7-15(21-2)8-5-13/h4-10,17,19-20H,3,11H2,1-2H3.
What are the key properties of 2-(4-bromo-2-ethylanilino)-1-(4-methoxyphenyl)ethanol?
2-(4-bromo-2-ethylanilino)-1-(4-methoxyphenyl)ethanol has a molecular weight of 350.26 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-ethylanilino)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 81288515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).