1-N-(3-bromophenyl)-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine

C21H21BrN2 — CID 176782493

IUPAC1-N-(3-bromophenyl)-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
SMILESCc1cc(C)c(Nc2ccccc2Nc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C21H21BrN2/c1-14-11-15(2)21(16(3)12-14)24-20-10-5-4-9-19(20)23-18-8-6-7-17(22)13-18/h4-13,23-24H,1-3H3
InChIKeyQPVCRNYCGYGEAE-UHFFFAOYSA-N
MW381.32 g/mol
LogP6.86
Rot. Bonds4

About 1-N-(3-bromophenyl)-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine

1-N-(3-bromophenyl)-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine (PubChem CID 176782493) has the molecular formula C21H21BrN2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 1-N-(3-bromophenyl)-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-bromophenyl)-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
PubChem CID176782493
Molecular FormulaC21H21BrN2
Molecular Weight381.32 g/mol
Exact Mass380.09
IUPAC Name1-N-(3-bromophenyl)-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
SMILESCc1cc(C)c(Nc2ccccc2Nc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C21H21BrN2/c1-14-11-15(2)21(16(3)12-14)24-20-10-5-4-9-19(20)23-18-8-6-7-17(22)13-18/h4-13,23-24H,1-3H3
InChIKeyQPVCRNYCGYGEAE-UHFFFAOYSA-N
XLogP6.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.32
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-phenylaniline
CID 14958606
4-N-(3-bromophenyl)-2-methylbenzene-1,4-diamine
CID 43436300
2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline
CID 129025660
2-N-(3-bromo-5-methylphenyl)benzene-1,2-diamine
CID 107581799
N-(3-bromophenyl)-5-methyl-1H-pyrazol-4-amine
CID 115046902
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CID 772388
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CID 115049456
N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide
CID 109008766
2-[[2-(3-bromoanilino)-3,4-dioxocyclobuten-1-yl]amino]benzoic acid
CID 18473844
2-N-(3-bromophenyl)-4-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928396
N-(3-methylphenyl)-9H-fluoren-1-amine
CID 167215779
N-(4-bromo-2-nitrophenyl)-2,4,6-trimethylaniline
CID 63462521

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-bromophenyl)-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine?
The IUPAC name of 1-N-(3-bromophenyl)-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine (CID 176782493) is 1-N-(3-bromophenyl)-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-(3-bromophenyl)-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine?
The canonical SMILES for 1-N-(3-bromophenyl)-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine is Cc1cc(C)c(Nc2ccccc2Nc2cccc(Br)c2)c(C)c1.
What is the InChIKey of 1-N-(3-bromophenyl)-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine?
The InChIKey is QPVCRNYCGYGEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2/c1-14-11-15(2)21(16(3)12-14)24-20-10-5-4-9-19(20)23-18-8-6-7-17(22)13-18/h4-13,23-24H,1-3H3.
What are the key properties of 1-N-(3-bromophenyl)-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine?
1-N-(3-bromophenyl)-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine has a molecular weight of 381.32 g/mol, XLogP of 6.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-bromophenyl)-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 176782493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).