2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline

C12H18BrN — CID 43099892

IUPAC2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline
SMILESCc1ccc(NC(C)C(C)C)c(Br)c1
InChIInChI=1S/C12H18BrN/c1-8(2)10(4)14-12-6-5-9(3)7-11(12)13/h5-8,10,14H,1-4H3
InChIKeyOVZKBNVEFWFQMU-UHFFFAOYSA-N
MW256.19 g/mol
LogP4.21
Rot. Bonds3

About 2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline

2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline (PubChem CID 43099892) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline
PubChem CID43099892
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline
SMILESCc1ccc(NC(C)C(C)C)c(Br)c1
InChIInChI=1S/C12H18BrN/c1-8(2)10(4)14-12-6-5-9(3)7-11(12)13/h5-8,10,14H,1-4H3
InChIKeyOVZKBNVEFWFQMU-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline 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

2,6-dibromo-4-methyl-N-(3-methylbutan-2-yl)aniline
CID 43126187
2-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-4-methylaniline
CID 63418639
4-[1-(2-bromo-4-methylanilino)ethyl]phenol
CID 43191244
5-[1-(2-bromo-4-methylanilino)ethyl]benzene-1,3-diol
CID 107704870
2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline
CID 43100834
2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline
CID 43757713
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline
CID 43757717
2-bromo-4-methyl-N-(2-methylbutyl)aniline
CID 43111742
2-(2-bromo-4-methylanilino)-4-methylpentanoic acid
CID 82135184
2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline
CID 43096177
2-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-4-methylaniline
CID 43757682
4-methyl-2-(3-methylbutan-2-ylamino)benzoic acid
CID 62710762

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline (CID 43099892) is 2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline is Cc1ccc(NC(C)C(C)C)c(Br)c1.
What is the InChIKey of 2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline?
The InChIKey is OVZKBNVEFWFQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-8(2)10(4)14-12-6-5-9(3)7-11(12)13/h5-8,10,14H,1-4H3.
What are the key properties of 2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline?
2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline has a molecular weight of 256.19 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 43099892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).