4-amino-2-(5-bromo-2-methylphenyl)butan-2-ol

C11H16BrNO — CID 83732603

IUPAC4-amino-2-(5-bromo-2-methylphenyl)butan-2-ol
SMILESCc1ccc(Br)cc1C(C)(O)CCN
InChIInChI=1S/C11H16BrNO/c1-8-3-4-9(12)7-10(8)11(2,14)5-6-13/h3-4,7,14H,5-6,13H2,1-2H3
InChIKeyWYZMWRBKNMBGTA-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.31
Rot. Bonds3

About 4-amino-2-(5-bromo-2-methylphenyl)butan-2-ol

4-amino-2-(5-bromo-2-methylphenyl)butan-2-ol (PubChem CID 83732603) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 4-amino-2-(5-bromo-2-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-2-(5-bromo-2-methylphenyl)butan-2-ol
PubChem CID83732603
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name4-amino-2-(5-bromo-2-methylphenyl)butan-2-ol
SMILESCc1ccc(Br)cc1C(C)(O)CCN
InChIInChI=1S/C11H16BrNO/c1-8-3-4-9(12)7-10(8)11(2,14)5-6-13/h3-4,7,14H,5-6,13H2,1-2H3
InChIKeyWYZMWRBKNMBGTA-UHFFFAOYSA-N
XLogP2.31
TPSA46.25 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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(5-bromo-2-methylphenyl)propan-2-ol
CID 82647794
(2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol
CID 93189117
1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide
CID 115182837
2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152831
N'-(5-bromo-2-methylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199854
4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid
CID 82972821
2-(2-amino-5-bromophenyl)propan-2-ol
CID 12042275
2-(5-bromo-2-methylphenyl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263701
N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176137
3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide
CID 115426300
1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol
CID 79743593
1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-bromo-2-methylphenyl)butan-2-ol?
The IUPAC name of 4-amino-2-(5-bromo-2-methylphenyl)butan-2-ol (CID 83732603) is 4-amino-2-(5-bromo-2-methylphenyl)butan-2-ol.
What is the SMILES notation for 4-amino-2-(5-bromo-2-methylphenyl)butan-2-ol?
The canonical SMILES for 4-amino-2-(5-bromo-2-methylphenyl)butan-2-ol is Cc1ccc(Br)cc1C(C)(O)CCN.
What is the InChIKey of 4-amino-2-(5-bromo-2-methylphenyl)butan-2-ol?
The InChIKey is WYZMWRBKNMBGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8-3-4-9(12)7-10(8)11(2,14)5-6-13/h3-4,7,14H,5-6,13H2,1-2H3.
What are the key properties of 4-amino-2-(5-bromo-2-methylphenyl)butan-2-ol?
4-amino-2-(5-bromo-2-methylphenyl)butan-2-ol has a molecular weight of 258.16 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-bromo-2-methylphenyl)butan-2-ol is sourced from PubChem (CID 83732603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).