N-(4-bromo-3,5-dimethylphenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine

C18H23BrN2 — CID 107573259

IUPACN-(4-bromo-3,5-dimethylphenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(NC(CN)c2c(C)cccc2C)cc(C)c1Br
InChIInChI=1S/C18H23BrN2/c1-11-6-5-7-12(2)17(11)16(10-20)21-15-8-13(3)18(19)14(4)9-15/h5-9,16,21H,10,20H2,1-4H3
InChIKeyDPODNNPKQPCALV-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.79
Rot. Bonds4

About N-(4-bromo-3,5-dimethylphenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine

N-(4-bromo-3,5-dimethylphenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine (PubChem CID 107573259) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine
PubChem CID107573259
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(NC(CN)c2c(C)cccc2C)cc(C)c1Br
InChIInChI=1S/C18H23BrN2/c1-11-6-5-7-12(2)17(11)16(10-20)21-15-8-13(3)18(19)14(4)9-15/h5-9,16,21H,10,20H2,1-4H3
InChIKeyDPODNNPKQPCALV-UHFFFAOYSA-N
XLogP4.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-3,5-dimethylphenyl)-1-(2,6-dimethylphenyl)ethane-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

N-(4-Bromo-phenyl)-2-(3,4-dimethyl-phenylamino)-acetamide
CID 832423
US10233152, Example 33
CID 129279721
4-bromo-N-(1-phenylbut-3-enyl)aniline
CID 478550
US10233152, Example 86
CID 129279704
3-[(4-Bromo-3-methylanilino)methyl]benzonitrile
CID 28446684
N-[(2-bromophenyl)methyl]-4-(4-methylpiperazin-1-yl)aniline
CID 162669423
4-bromo-N-[1-(2-fluorophenyl)but-3-enyl]aniline
CID 139240305
N-(4-Bromophenyl)-N-(1-phenylethyl)amine
CID 12174320
4-bromo-N-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enyl]aniline
CID 176437175
N-[1-(4-bromophenyl)propyl]aniline
CID 11623427
(2'-Bromo-biphenyl-2-yl)-methyl-amine
CID 12555626
4-bromo-N-(2-phenylethyl)aniline
CID 22416831

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine (CID 107573259) is N-(4-bromo-3,5-dimethylphenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine is Cc1cc(NC(CN)c2c(C)cccc2C)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine?
The InChIKey is DPODNNPKQPCALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-11-6-5-7-12(2)17(11)16(10-20)21-15-8-13(3)18(19)14(4)9-15/h5-9,16,21H,10,20H2,1-4H3.
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine?
N-(4-bromo-3,5-dimethylphenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine has a molecular weight of 347.30 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 107573259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).