2-(2-bromoanilino)-2-(2,4,6-trimethylphenyl)ethanol

C17H20BrNO — CID 61048449

IUPAC2-(2-bromoanilino)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(CO)Nc2ccccc2Br)c(C)c1
InChIInChI=1S/C17H20BrNO/c1-11-8-12(2)17(13(3)9-11)16(10-20)19-15-7-5-4-6-14(15)18/h4-9,16,19-20H,10H2,1-3H3
InChIKeyMFEBBWYDVNRVLR-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.52
Rot. Bonds4

About 2-(2-bromoanilino)-2-(2,4,6-trimethylphenyl)ethanol

2-(2-bromoanilino)-2-(2,4,6-trimethylphenyl)ethanol (PubChem CID 61048449) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-(2,4,6-trimethylphenyl)ethanol
PubChem CID61048449
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-(2-bromoanilino)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(CO)Nc2ccccc2Br)c(C)c1
InChIInChI=1S/C17H20BrNO/c1-11-8-12(2)17(13(3)9-11)16(10-20)19-15-7-5-4-6-14(15)18/h4-9,16,19-20H,10H2,1-3H3
InChIKeyMFEBBWYDVNRVLR-UHFFFAOYSA-N
XLogP4.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-bromoanilino)-2-phenylethanol
CID 135041919
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2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol
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CID 79050493
2-(2-bromoanilino)-2-(3-ethylimidazol-4-yl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 2-(2-bromoanilino)-2-(2,4,6-trimethylphenyl)ethanol (CID 61048449) is 2-(2-bromoanilino)-2-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 2-(2-bromoanilino)-2-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 2-(2-bromoanilino)-2-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(C(CO)Nc2ccccc2Br)c(C)c1.
What is the InChIKey of 2-(2-bromoanilino)-2-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is MFEBBWYDVNRVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11-8-12(2)17(13(3)9-11)16(10-20)19-15-7-5-4-6-14(15)18/h4-9,16,19-20H,10H2,1-3H3.
What are the key properties of 2-(2-bromoanilino)-2-(2,4,6-trimethylphenyl)ethanol?
2-(2-bromoanilino)-2-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 334.26 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-2-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 61048449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).