4-bromo-2-[methyl(3-methylbutyl)amino]benzaldehyde

C13H18BrNO — CID 61428831

IUPAC4-bromo-2-[methyl(3-methylbutyl)amino]benzaldehyde
SMILESCC(C)CCN(C)c1cc(Br)ccc1C=O
InChIInChI=1S/C13H18BrNO/c1-10(2)6-7-15(3)13-8-12(14)5-4-11(13)9-16/h4-5,8-10H,6-7H2,1-3H3
InChIKeyDJLDYSADJNGMAV-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.74
Rot. Bonds5

About 4-bromo-2-[methyl(3-methylbutyl)amino]benzaldehyde

4-bromo-2-[methyl(3-methylbutyl)amino]benzaldehyde (PubChem CID 61428831) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-bromo-2-[methyl(3-methylbutyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-bromo-2-[methyl(3-methylbutyl)amino]benzaldehyde
PubChem CID61428831
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name4-bromo-2-[methyl(3-methylbutyl)amino]benzaldehyde
SMILESCC(C)CCN(C)c1cc(Br)ccc1C=O
InChIInChI=1S/C13H18BrNO/c1-10(2)6-7-15(3)13-8-12(14)5-4-11(13)9-16/h4-5,8-10H,6-7H2,1-3H3
InChIKeyDJLDYSADJNGMAV-UHFFFAOYSA-N
XLogP3.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-2-[methyl(3-methylbutyl)amino]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-[2-(dimethylamino)ethyl-methylamino]benzaldehyde
CID 63695233
4-bromo-2-[3-(dimethylamino)propyl-methylamino]benzaldehyde
CID 63695237
2-[bis(2-methylpropyl)amino]-4-bromobenzaldehyde
CID 63534448
4-bromo-2-[(2-bromophenyl)methyl-methylamino]benzaldehyde
CID 63535972
4-bromo-2-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)aniline
CID 114061769
4-bromo-2-[methyl-[(2-methylphenyl)methyl]amino]benzaldehyde
CID 63534951
4-bromo-2-[butan-2-yl(butyl)amino]benzaldehyde
CID 63534451
4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde
CID 114843930
4-bromo-2-(3-methylbutylsulfanyl)benzaldehyde
CID 107761228
5-bromo-2-(3-methylbutoxy)benzaldehyde
CID 3816179
4-bromo-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
CID 43526378
4-bromo-N'-hydroxy-2-[methyl(3-methylbutyl)amino]benzenecarboximidamide
CID 114903945

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[methyl(3-methylbutyl)amino]benzaldehyde?
The IUPAC name of 4-bromo-2-[methyl(3-methylbutyl)amino]benzaldehyde (CID 61428831) is 4-bromo-2-[methyl(3-methylbutyl)amino]benzaldehyde.
What is the SMILES notation for 4-bromo-2-[methyl(3-methylbutyl)amino]benzaldehyde?
The canonical SMILES for 4-bromo-2-[methyl(3-methylbutyl)amino]benzaldehyde is CC(C)CCN(C)c1cc(Br)ccc1C=O.
What is the InChIKey of 4-bromo-2-[methyl(3-methylbutyl)amino]benzaldehyde?
The InChIKey is DJLDYSADJNGMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10(2)6-7-15(3)13-8-12(14)5-4-11(13)9-16/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 4-bromo-2-[methyl(3-methylbutyl)amino]benzaldehyde?
4-bromo-2-[methyl(3-methylbutyl)amino]benzaldehyde has a molecular weight of 284.20 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[methyl(3-methylbutyl)amino]benzaldehyde is sourced from PubChem (CID 61428831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).