3-(2-bromoanilino)-2-methylbutan-2-ol

C11H16BrNO — CID 65332677

IUPAC3-(2-bromoanilino)-2-methylbutan-2-ol
SMILESCC(Nc1ccccc1Br)C(C)(C)O
InChIInChI=1S/C11H16BrNO/c1-8(11(2,3)14)13-10-7-5-4-6-9(10)12/h4-8,13-14H,1-3H3
InChIKeyGPJPWZLSRWJLIK-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.02
Rot. Bonds3

About 3-(2-bromoanilino)-2-methylbutan-2-ol

3-(2-bromoanilino)-2-methylbutan-2-ol (PubChem CID 65332677) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-(2-bromoanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-(2-bromoanilino)-2-methylbutan-2-ol
PubChem CID65332677
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name3-(2-bromoanilino)-2-methylbutan-2-ol
SMILESCC(Nc1ccccc1Br)C(C)(C)O
InChIInChI=1S/C11H16BrNO/c1-8(11(2,3)14)13-10-7-5-4-6-9(10)12/h4-8,13-14H,1-3H3
InChIKeyGPJPWZLSRWJLIK-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(hydroxymethyl)anilino]-2-methylbutan-2-ol
CID 65337723
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
2-bromo-N-butan-2-ylaniline
CID 43194515
3-(5-bromo-2-chloroanilino)-2-methylbutan-2-ol
CID 65338217
3-[(2-chloro-3-pyridinyl)amino]-2-methylbutan-2-ol
CID 65338181
2-bromo-N-[(1S)-1-phenylethyl]aniline;hydrochloride
CID 172882995
ethyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]benzoate
CID 65333022
3-(2-bromoanilino)-N'-hydroxybutanimidamide
CID 77026721
2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline
CID 114081198
2-bromo-N-(2-methylpentan-3-yl)aniline
CID 43762620
2-bromo-N-(3-methoxybutan-2-yl)aniline
CID 115928171
2-bromo-N-(3,3-dimethyl-1-phenylbutyl)aniline
CID 43762679

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoanilino)-2-methylbutan-2-ol?
The IUPAC name of 3-(2-bromoanilino)-2-methylbutan-2-ol (CID 65332677) is 3-(2-bromoanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 3-(2-bromoanilino)-2-methylbutan-2-ol?
The canonical SMILES for 3-(2-bromoanilino)-2-methylbutan-2-ol is CC(Nc1ccccc1Br)C(C)(C)O.
What is the InChIKey of 3-(2-bromoanilino)-2-methylbutan-2-ol?
The InChIKey is GPJPWZLSRWJLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8(11(2,3)14)13-10-7-5-4-6-9(10)12/h4-8,13-14H,1-3H3.
What are the key properties of 3-(2-bromoanilino)-2-methylbutan-2-ol?
3-(2-bromoanilino)-2-methylbutan-2-ol has a molecular weight of 258.16 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 65332677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).