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

C17H21BrN2 — CID 82756921

IUPACN-(2-bromo-5-methylphenyl)-1-(3,4-dimethylphenyl)ethane-1,2-diamine
SMILESCc1ccc(Br)c(NC(CN)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H21BrN2/c1-11-4-7-15(18)16(8-11)20-17(10-19)14-6-5-12(2)13(3)9-14/h4-9,17,20H,10,19H2,1-3H3
InChIKeyVLXMGEJMAQFXPT-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.49
Rot. Bonds4

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

N-(2-bromo-5-methylphenyl)-1-(3,4-dimethylphenyl)ethane-1,2-diamine (PubChem CID 82756921) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-1-(3,4-dimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-1-(3,4-dimethylphenyl)ethane-1,2-diamine
PubChem CID82756921
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC NameN-(2-bromo-5-methylphenyl)-1-(3,4-dimethylphenyl)ethane-1,2-diamine
SMILESCc1ccc(Br)c(NC(CN)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H21BrN2/c1-11-4-7-15(18)16(8-11)20-17(10-19)14-6-5-12(2)13(3)9-14/h4-9,17,20H,10,19H2,1-3H3
InChIKeyVLXMGEJMAQFXPT-UHFFFAOYSA-N
XLogP4.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-methylphenyl)-1-(3-bromophenyl)ethane-1,2-diamine
CID 82756852
1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65377760
N-(2-bromo-5-methylphenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937262
2-bromo-5-methyl-N-[1-(4-methylphenyl)propyl]aniline
CID 82761260
N-(2-bromo-5-methylphenyl)-1-(4-bromothiophen-2-yl)ethane-1,2-diamine
CID 82757533
N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 65384259
1-(4-bromo-3-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 66481166
N-(2-bromo-5-methylphenyl)-1-(2-chloro-6-methoxyphenyl)ethane-1,2-diamine
CID 104816416
1-(1-benzofuran-3-yl)-N-(2-bromo-5-methylphenyl)ethane-1,2-diamine
CID 82745916
1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62070144
1-(3-bromo-4-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 105405065
N-(3,5-dimethylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 82131994

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-1-(3,4-dimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(2-bromo-5-methylphenyl)-1-(3,4-dimethylphenyl)ethane-1,2-diamine (CID 82756921) is N-(2-bromo-5-methylphenyl)-1-(3,4-dimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-1-(3,4-dimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-1-(3,4-dimethylphenyl)ethane-1,2-diamine is Cc1ccc(Br)c(NC(CN)c2ccc(C)c(C)c2)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-1-(3,4-dimethylphenyl)ethane-1,2-diamine?
The InChIKey is VLXMGEJMAQFXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-11-4-7-15(18)16(8-11)20-17(10-19)14-6-5-12(2)13(3)9-14/h4-9,17,20H,10,19H2,1-3H3.
What are the key properties of N-(2-bromo-5-methylphenyl)-1-(3,4-dimethylphenyl)ethane-1,2-diamine?
N-(2-bromo-5-methylphenyl)-1-(3,4-dimethylphenyl)ethane-1,2-diamine has a molecular weight of 333.27 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-1-(3,4-dimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 82756921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).