1-N-methyl-1-N-(2-methylphenyl)-4-nitrobenzene-1,2-diamine

C14H15N3O2 — CID 62507646

IUPAC1-N-methyl-1-N-(2-methylphenyl)-4-nitrobenzene-1,2-diamine
SMILESCc1ccccc1N(C)c1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C14H15N3O2/c1-10-5-3-4-6-13(10)16(2)14-8-7-11(17(18)19)9-12(14)15/h3-9H,15H2,1-2H3
InChIKeyIWXYFFCJZCOSPQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.25
Rot. Bonds3

About 1-N-methyl-1-N-(2-methylphenyl)-4-nitrobenzene-1,2-diamine

1-N-methyl-1-N-(2-methylphenyl)-4-nitrobenzene-1,2-diamine (PubChem CID 62507646) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-N-methyl-1-N-(2-methylphenyl)-4-nitrobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(2-methylphenyl)-4-nitrobenzene-1,2-diamine
PubChem CID62507646
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-N-methyl-1-N-(2-methylphenyl)-4-nitrobenzene-1,2-diamine
SMILESCc1ccccc1N(C)c1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C14H15N3O2/c1-10-5-3-4-6-13(10)16(2)14-8-7-11(17(18)19)9-12(14)15/h3-9H,15H2,1-2H3
InChIKeyIWXYFFCJZCOSPQ-UHFFFAOYSA-N
XLogP3.25
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(N-ethyl-2-methylanilino)methyl]-4-nitroaniline
CID 62183217
2-N,4,5-trimethyl-2-N-(2-methylphenyl)benzene-1,2-diamine
CID 114281251
aniline;2-methyl-5-nitroaniline
CID 154966094
4-nitro-1-N-(4-nitrophenyl)-1-N-phenylbenzene-1,2-diamine
CID 176657563
2-(2-methylphenyl)sulfanyl-5-nitroaniline
CID 55080116
6-chloro-N-methyl-N-(2-methylphenyl)-4-nitropyridin-2-amine
CID 114070833
1-N-(furan-2-ylmethyl)-1-N-methyl-4-nitrobenzene-1,2-diamine
CID 62506135
2-methyl-5-nitroaniline sulfate
CID 20841862
1-amino-4-(N,2-dimethylanilino)anthracene-9,10-dione
CID 70605821
N,N-dihydroxy-2-methyl-5-nitroaniline
CID 87329382
1-N-(2-methylpropyl)-4-nitro-1-N-propan-2-ylbenzene-1,2-diamine
CID 62507801
5-nitro-2-(trideuteriomethyl)aniline
CID 59470960

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(2-methylphenyl)-4-nitrobenzene-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(2-methylphenyl)-4-nitrobenzene-1,2-diamine (CID 62507646) is 1-N-methyl-1-N-(2-methylphenyl)-4-nitrobenzene-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(2-methylphenyl)-4-nitrobenzene-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(2-methylphenyl)-4-nitrobenzene-1,2-diamine is Cc1ccccc1N(C)c1ccc([N+](=O)[O-])cc1N.
What is the InChIKey of 1-N-methyl-1-N-(2-methylphenyl)-4-nitrobenzene-1,2-diamine?
The InChIKey is IWXYFFCJZCOSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-5-3-4-6-13(10)16(2)14-8-7-11(17(18)19)9-12(14)15/h3-9H,15H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(2-methylphenyl)-4-nitrobenzene-1,2-diamine?
1-N-methyl-1-N-(2-methylphenyl)-4-nitrobenzene-1,2-diamine has a molecular weight of 257.29 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(2-methylphenyl)-4-nitrobenzene-1,2-diamine is sourced from PubChem (CID 62507646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).