2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide

C15H23BrN2O — CID 115152831

IUPAC2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide
SMILESCc1ccc(Br)cc1C(C)(C)CNC(=O)C(C)(C)N
InChIInChI=1S/C15H23BrN2O/c1-10-6-7-11(16)8-12(10)14(2,3)9-18-13(19)15(4,5)17/h6-8H,9,17H2,1-5H3,(H,18,19)
InChIKeyJIQIIHUESAPPCW-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.89
Rot. Bonds4

About 2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide

2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide (PubChem CID 115152831) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide
PubChem CID115152831
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide
SMILESCc1ccc(Br)cc1C(C)(C)CNC(=O)C(C)(C)N
InChIInChI=1S/C15H23BrN2O/c1-10-6-7-11(16)8-12(10)14(2,3)9-18-13(19)15(4,5)17/h6-8H,9,17H2,1-5H3,(H,18,19)
InChIKeyJIQIIHUESAPPCW-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152822
N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-cyano-2-methylpropanamide
CID 115175276
N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176137
1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide
CID 115182837
3-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide
CID 115161764
2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152840
3-[[2-(5-bromo-2-methylphenyl)-2-methylpropyl]amino]propanoic acid
CID 115218391
2-(5-bromo-2-methylphenyl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263701
2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152834
1-amino-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide
CID 115190062
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191394
N-[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]acetamide
CID 115191413

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide (CID 115152831) is 2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide is Cc1ccc(Br)cc1C(C)(C)CNC(=O)C(C)(C)N.
What is the InChIKey of 2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide?
The InChIKey is JIQIIHUESAPPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-10-6-7-11(16)8-12(10)14(2,3)9-18-13(19)15(4,5)17/h6-8H,9,17H2,1-5H3,(H,18,19).
What are the key properties of 2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide?
2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide has a molecular weight of 327.27 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide is sourced from PubChem (CID 115152831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).