1-N-(2-bromo-5-methylphenyl)-2-methylpropane-1,2-diamine

C11H17BrN2 — CID 126984180

IUPAC1-N-(2-bromo-5-methylphenyl)-2-methylpropane-1,2-diamine
SMILESCc1ccc(Br)c(NCC(C)(C)N)c1
InChIInChI=1S/C11H17BrN2/c1-8-4-5-9(12)10(6-8)14-7-11(2,3)13/h4-6,14H,7,13H2,1-3H3
InChIKeyINACAAFPMDQLEV-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.91
Rot. Bonds3

About 1-N-(2-bromo-5-methylphenyl)-2-methylpropane-1,2-diamine

1-N-(2-bromo-5-methylphenyl)-2-methylpropane-1,2-diamine (PubChem CID 126984180) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 1-N-(2-bromo-5-methylphenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-bromo-5-methylphenyl)-2-methylpropane-1,2-diamine
PubChem CID126984180
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name1-N-(2-bromo-5-methylphenyl)-2-methylpropane-1,2-diamine
SMILESCc1ccc(Br)c(NCC(C)(C)N)c1
InChIInChI=1S/C11H17BrN2/c1-8-4-5-9(12)10(6-8)14-7-11(2,3)13/h4-6,14H,7,13H2,1-3H3
InChIKeyINACAAFPMDQLEV-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-(2-bromo-5-methylphenyl)-2-methylpropane-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

2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 82757110
1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol
CID 114493488
2-bromo-5-methyl-N-[(4-methylphenyl)methyl]aniline
CID 82760988
(2-bromo-5-methylphenyl)hydrazine
CID 12891837
2-(2-bromo-5-methylanilino)-1-pyrrolidin-1-ylethanone
CID 82713605
2-amino-N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82757643
2-bromo-N-(2-methoxyethyl)-5-methylaniline
CID 82757107
2-bromo-N-[(4-bromophenyl)methyl]-5-methylaniline
CID 82762026
2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
CID 82761087
(2-bromo-5-methylphenyl)urea
CID 82707313
2-bromo-N-[(2,5-dimethylthiophen-3-yl)methyl]-5-methylaniline
CID 82761487
N-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide
CID 82706728

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bromo-5-methylphenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(2-bromo-5-methylphenyl)-2-methylpropane-1,2-diamine (CID 126984180) is 1-N-(2-bromo-5-methylphenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2-bromo-5-methylphenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2-bromo-5-methylphenyl)-2-methylpropane-1,2-diamine is Cc1ccc(Br)c(NCC(C)(C)N)c1.
What is the InChIKey of 1-N-(2-bromo-5-methylphenyl)-2-methylpropane-1,2-diamine?
The InChIKey is INACAAFPMDQLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-8-4-5-9(12)10(6-8)14-7-11(2,3)13/h4-6,14H,7,13H2,1-3H3.
What are the key properties of 1-N-(2-bromo-5-methylphenyl)-2-methylpropane-1,2-diamine?
1-N-(2-bromo-5-methylphenyl)-2-methylpropane-1,2-diamine has a molecular weight of 257.17 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bromo-5-methylphenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 126984180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).