1-N-methyl-2-N-[[2-(methylamino)anilino]methyl]benzene-1,2-diamine

C15H20N4 — CID 88866227

IUPAC1-N-methyl-2-N-[[2-(methylamino)anilino]methyl]benzene-1,2-diamine
SMILESCNc1ccccc1NCNc1ccccc1NC
InChIInChI=1S/C15H20N4/c1-16-12-7-3-5-9-14(12)18-11-19-15-10-6-4-8-13(15)17-2/h3-10,16-19H,11H2,1-2H3
InChIKeyGKOSIXJKFSBWII-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.25
Rot. Bonds6

About 1-N-methyl-2-N-[[2-(methylamino)anilino]methyl]benzene-1,2-diamine

1-N-methyl-2-N-[[2-(methylamino)anilino]methyl]benzene-1,2-diamine (PubChem CID 88866227) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-N-methyl-2-N-[[2-(methylamino)anilino]methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-2-N-[[2-(methylamino)anilino]methyl]benzene-1,2-diamine
PubChem CID88866227
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-N-methyl-2-N-[[2-(methylamino)anilino]methyl]benzene-1,2-diamine
SMILESCNc1ccccc1NCNc1ccccc1NC
InChIInChI=1S/C15H20N4/c1-16-12-7-3-5-9-14(12)18-11-19-15-10-6-4-8-13(15)17-2/h3-10,16-19H,11H2,1-2H3
InChIKeyGKOSIXJKFSBWII-UHFFFAOYSA-N
XLogP3.25
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N-(iodomethyl)-1-N-methylbenzene-1,2-diamine
CID 139409605
2-N-(2-aminobutyl)-1-N-methylbenzene-1,2-diamine
CID 76677736
N-methyl-2-(methylaminomethyl)aniline
CID 576504
ethane;2-N-methylbenzene-1,2-diamine
CID 91146948
1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride
CID 158225673
N,2-dimethylaniline
CID 163768915
N'-(2-methylphenyl)-N-phenylmethanediamine
CID 14173164
2-[(2-bromophenyl)methyl]-N-methylaniline
CID 67799221
N-[2-(methylamino)phenyl]acetamide
CID 22950987
1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine
CID 5250269
N-methyl-2-phosphanylaniline
CID 12828029
[2-(methylamino)phenyl]azanium
CID 143395954

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-2-N-[[2-(methylamino)anilino]methyl]benzene-1,2-diamine?
The IUPAC name of 1-N-methyl-2-N-[[2-(methylamino)anilino]methyl]benzene-1,2-diamine (CID 88866227) is 1-N-methyl-2-N-[[2-(methylamino)anilino]methyl]benzene-1,2-diamine.
What is the SMILES notation for 1-N-methyl-2-N-[[2-(methylamino)anilino]methyl]benzene-1,2-diamine?
The canonical SMILES for 1-N-methyl-2-N-[[2-(methylamino)anilino]methyl]benzene-1,2-diamine is CNc1ccccc1NCNc1ccccc1NC.
What is the InChIKey of 1-N-methyl-2-N-[[2-(methylamino)anilino]methyl]benzene-1,2-diamine?
The InChIKey is GKOSIXJKFSBWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-16-12-7-3-5-9-14(12)18-11-19-15-10-6-4-8-13(15)17-2/h3-10,16-19H,11H2,1-2H3.
What are the key properties of 1-N-methyl-2-N-[[2-(methylamino)anilino]methyl]benzene-1,2-diamine?
1-N-methyl-2-N-[[2-(methylamino)anilino]methyl]benzene-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.25, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-2-N-[[2-(methylamino)anilino]methyl]benzene-1,2-diamine is sourced from PubChem (CID 88866227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).