(3-methylanilino)azanium

C7H11N2+ — CID 4555748

IUPAC(3-methylanilino)azanium
SMILESCc1cccc(N[NH3+])c1
InChIInChI=1S/C7H10N2/c1-6-3-2-4-7(5-6)9-8/h2-5,9H,8H2,1H3/p+1
InChIKeyGPTOGZLZMLJZCV-UHFFFAOYSA-O
MW123.18 g/mol
LogP0.56
Rot. Bonds1

About (3-methylanilino)azanium

(3-methylanilino)azanium (PubChem CID 4555748) has the molecular formula C7H11N2+ and a molecular weight of 123.18 g/mol. Its IUPAC name is (3-methylanilino)azanium.

Molecular Properties

Compound Name(3-methylanilino)azanium
PubChem CID4555748
Molecular FormulaC7H11N2+
Molecular Weight123.18 g/mol
Exact Mass123.09
IUPAC Name(3-methylanilino)azanium
SMILESCc1cccc(N[NH3+])c1
InChIInChI=1S/C7H10N2/c1-6-3-2-4-7(5-6)9-8/h2-5,9H,8H2,1H3/p+1
InChIKeyGPTOGZLZMLJZCV-UHFFFAOYSA-O
XLogP0.56
TPSA39.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylphenyl)acetamide
CID 10843
N-ethenyl-3-methylaniline
CID 69480469
(3-methylanilino)-oxosulfanium
CID 143284589
1,1'-biphenyl;3-methyl-N-phenylaniline
CID 19838437
1-(3-methylanilino)ethane-1,1-diol
CID 54318921
phosphane;tris(1,3-xylene)
CID 67351774
uranium;1,3-xylene
CID 142096795
argon;1,3-xylene
CID 161468194
ethane;1,3-xylene
CID 54570178
N-[(2-ethylphenyl)methyl]-3-methylaniline
CID 21444100
4-N-(3-methylphenyl)benzene-1,4-diamine
CID 4764078
N-(1-chloroethenyl)-3-methylaniline
CID 71411235

Frequently Asked Questions

What is the IUPAC name of (3-methylanilino)azanium?
The IUPAC name of (3-methylanilino)azanium (CID 4555748) is (3-methylanilino)azanium.
What is the SMILES notation for (3-methylanilino)azanium?
The canonical SMILES for (3-methylanilino)azanium is Cc1cccc(N[NH3+])c1.
What is the InChIKey of (3-methylanilino)azanium?
The InChIKey is GPTOGZLZMLJZCV-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10N2/c1-6-3-2-4-7(5-6)9-8/h2-5,9H,8H2,1H3/p+1.
What are the key properties of (3-methylanilino)azanium?
(3-methylanilino)azanium has a molecular weight of 123.18 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylanilino)azanium is sourced from PubChem (CID 4555748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).