2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol

C17H20BrNO — CID 63487797

IUPAC2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CNc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H20BrNO/c1-12(2)13-3-5-14(6-4-13)17(20)11-19-16-9-7-15(18)8-10-16/h3-10,12,17,19-20H,11H2,1-2H3
InChIKeyNGVKAHDNYPVZFZ-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.72
Rot. Bonds5

About 2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol

2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 63487797) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID63487797
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CNc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H20BrNO/c1-12(2)13-3-5-14(6-4-13)17(20)11-19-16-9-7-15(18)8-10-16/h3-10,12,17,19-20H,11H2,1-2H3
InChIKeyNGVKAHDNYPVZFZ-UHFFFAOYSA-N
XLogP4.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 63492470
(2S)-1-(4-bromoanilino)propan-2-ol
CID 39247732
2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60902513
3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol
CID 132592769
(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897560
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-propan-2-ylanilino)propan-2-ol
CID 51861099
1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol
CID 60902136
1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol
CID 132592767
2-(3-ethylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901862
2-(2,6-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 62330797

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol (CID 63487797) is 2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(C(O)CNc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is NGVKAHDNYPVZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-12(2)13-3-5-14(6-4-13)17(20)11-19-16-9-7-15(18)8-10-16/h3-10,12,17,19-20H,11H2,1-2H3.
What are the key properties of 2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol?
2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 334.26 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 63487797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).