2-[4-bromo-2-(methylamino)phenyl]-2-methylpropanal

C11H14BrNO — CID 143821318

IUPAC2-[4-bromo-2-(methylamino)phenyl]-2-methylpropanal
SMILESCNc1cc(Br)ccc1C(C)(C)C=O
InChIInChI=1S/C11H14BrNO/c1-11(2,7-14)9-5-4-8(12)6-10(9)13-3/h4-7,13H,1-3H3
InChIKeyAGVXAEZTYJFGDS-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.97
Rot. Bonds3

About 2-[4-bromo-2-(methylamino)phenyl]-2-methylpropanal

2-[4-bromo-2-(methylamino)phenyl]-2-methylpropanal (PubChem CID 143821318) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-[4-bromo-2-(methylamino)phenyl]-2-methylpropanal.

Molecular Properties

Compound Name2-[4-bromo-2-(methylamino)phenyl]-2-methylpropanal
PubChem CID143821318
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-[4-bromo-2-(methylamino)phenyl]-2-methylpropanal
SMILESCNc1cc(Br)ccc1C(C)(C)C=O
InChIInChI=1S/C11H14BrNO/c1-11(2,7-14)9-5-4-8(12)6-10(9)13-3/h4-7,13H,1-3H3
InChIKeyAGVXAEZTYJFGDS-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-2-methylpropanal
CID 10013947
2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde
CID 177054962
4-bromo-2-(methylamino)benzoic acid
CID 13384102
(Z)-2-[5-bromo-2-(methylamino)phenyl]but-2-enal;ethane
CID 143263053
5-bromo-N-formyl-2-(methylamino)benzamide
CID 156568788
4-bromo-2-(methylamino)benzonitrile
CID 24903089
5-bromo-N-methyl-2-phenylaniline
CID 69363671
[4-bromo-2-(methylamino)phenyl]-hydroxyazanium
CID 170716961
N-(5-bromo-2-methoxyphenyl)-2-oxoacetamide
CID 12532225
N-[5-bromo-2-(methylamino)phenyl]benzamide
CID 175288167
5-bromo-2-ethanimidoyl-N-methylaniline
CID 145062110
4-bromo-2-diazenyl-N-methylaniline
CID 149374593

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(methylamino)phenyl]-2-methylpropanal?
The IUPAC name of 2-[4-bromo-2-(methylamino)phenyl]-2-methylpropanal (CID 143821318) is 2-[4-bromo-2-(methylamino)phenyl]-2-methylpropanal.
What is the SMILES notation for 2-[4-bromo-2-(methylamino)phenyl]-2-methylpropanal?
The canonical SMILES for 2-[4-bromo-2-(methylamino)phenyl]-2-methylpropanal is CNc1cc(Br)ccc1C(C)(C)C=O.
What is the InChIKey of 2-[4-bromo-2-(methylamino)phenyl]-2-methylpropanal?
The InChIKey is AGVXAEZTYJFGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-11(2,7-14)9-5-4-8(12)6-10(9)13-3/h4-7,13H,1-3H3.
What are the key properties of 2-[4-bromo-2-(methylamino)phenyl]-2-methylpropanal?
2-[4-bromo-2-(methylamino)phenyl]-2-methylpropanal has a molecular weight of 256.14 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(methylamino)phenyl]-2-methylpropanal is sourced from PubChem (CID 143821318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).