2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine

C12H19BrN2O — CID 65384910

IUPAC2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine
SMILESCOCCC(C)(CN)Nc1ccc(Br)cc1
InChIInChI=1S/C12H19BrN2O/c1-12(9-14,7-8-16-2)15-11-5-3-10(13)4-6-11/h3-6,15H,7-9,14H2,1-2H3
InChIKeyUFYRISABAXMOAQ-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.61
Rot. Bonds6

About 2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine

2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine (PubChem CID 65384910) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine
PubChem CID65384910
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine
SMILESCOCCC(C)(CN)Nc1ccc(Br)cc1
InChIInChI=1S/C12H19BrN2O/c1-12(9-14,7-8-16-2)15-11-5-3-10(13)4-6-11/h3-6,15H,7-9,14H2,1-2H3
InChIKeyUFYRISABAXMOAQ-UHFFFAOYSA-N
XLogP2.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine 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-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine
CID 65376497
2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine
CID 65385972
4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 65378823
2-N-(4-bromophenyl)-6,6,6-trifluoro-2-methylhexane-1,2-diamine
CID 116535351
2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine
CID 65379404
2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831540
2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine
CID 65377345
2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine
CID 80557635
3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine
CID 65376955
4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
CID 113434225
2-N-(4-bromophenyl)-4-methoxy-4-methylpentane-1,2-diamine
CID 106675740
4-bromo-N-(2-methoxy-2-methylpropyl)aniline
CID 130906263

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine (CID 65384910) is 2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine is COCCC(C)(CN)Nc1ccc(Br)cc1.
What is the InChIKey of 2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine?
The InChIKey is UFYRISABAXMOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-12(9-14,7-8-16-2)15-11-5-3-10(13)4-6-11/h3-6,15H,7-9,14H2,1-2H3.
What are the key properties of 2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine?
2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine has a molecular weight of 287.20 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine is sourced from PubChem (CID 65384910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).