2-[amino(methyl)amino]-4-methylaniline

C8H13N3 — CID 130196475

IUPAC2-[amino(methyl)amino]-4-methylaniline
SMILESCc1ccc(N)c(N(C)N)c1
InChIInChI=1S/C8H13N3/c1-6-3-4-7(9)8(5-6)11(2)10/h3-5H,9-10H2,1-2H3
InChIKeyPAORZOWQOYPQDJ-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.89
Rot. Bonds1

About 2-[amino(methyl)amino]-4-methylaniline

2-[amino(methyl)amino]-4-methylaniline (PubChem CID 130196475) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-[amino(methyl)amino]-4-methylaniline.

Molecular Properties

Compound Name2-[amino(methyl)amino]-4-methylaniline
PubChem CID130196475
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-[amino(methyl)amino]-4-methylaniline
SMILESCc1ccc(N)c(N(C)N)c1
InChIInChI=1S/C8H13N3/c1-6-3-4-7(9)8(5-6)11(2)10/h3-5H,9-10H2,1-2H3
InChIKeyPAORZOWQOYPQDJ-UHFFFAOYSA-N
XLogP0.89
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[amino(propan-2-yl)amino]-4-methylaniline
CID 135202562
2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 115126434
N-(2-amino-5-methylphenyl)-N-methylethanesulfinamide
CID 170287818
[4-amino-3-[amino(methyl)amino]phenyl] thiocyanate
CID 134356377
2-N,4-dimethyl-2-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine
CID 115126395
2-(2-amino-N-ethyl-5-methylanilino)ethanol
CID 57376084
4-amino-3-(N,2,4-trimethylanilino)benzonitrile
CID 104711826
3-[amino(methyl)amino]-5-methylpyridin-2-amine
CID 143982641
2-N,4-dimethyl-2-N-(1-methylindol-3-yl)benzene-1,2-diamine
CID 115126289
2-[amino(tert-butyl)amino]-5-methylaniline
CID 134239306
1-chloro-1-(2,5-dimethylphenyl)hydrazine
CID 88866189
2,4-dimethylaniline;methanol
CID 70633605

Frequently Asked Questions

What is the IUPAC name of 2-[amino(methyl)amino]-4-methylaniline?
The IUPAC name of 2-[amino(methyl)amino]-4-methylaniline (CID 130196475) is 2-[amino(methyl)amino]-4-methylaniline.
What is the SMILES notation for 2-[amino(methyl)amino]-4-methylaniline?
The canonical SMILES for 2-[amino(methyl)amino]-4-methylaniline is Cc1ccc(N)c(N(C)N)c1.
What is the InChIKey of 2-[amino(methyl)amino]-4-methylaniline?
The InChIKey is PAORZOWQOYPQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-3-4-7(9)8(5-6)11(2)10/h3-5H,9-10H2,1-2H3.
What are the key properties of 2-[amino(methyl)amino]-4-methylaniline?
2-[amino(methyl)amino]-4-methylaniline has a molecular weight of 151.21 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(methyl)amino]-4-methylaniline is sourced from PubChem (CID 130196475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).