[2-(methylamino)phenyl]azanium

C7H11N2+ — CID 143395954

IUPAC[2-(methylamino)phenyl]azanium
SMILESCNc1ccccc1[NH3+]
InChIInChI=1S/C7H10N2/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,8H2,1H3/p+1
InChIKeyRPKCLSMBVQLWIN-UHFFFAOYSA-O
MW123.18 g/mol
LogP0.60
Rot. Bonds1

About [2-(methylamino)phenyl]azanium

[2-(methylamino)phenyl]azanium (PubChem CID 143395954) has the molecular formula C7H11N2+ and a molecular weight of 123.18 g/mol. Its IUPAC name is [2-(methylamino)phenyl]azanium.

Molecular Properties

Compound Name[2-(methylamino)phenyl]azanium
PubChem CID143395954
Molecular FormulaC7H11N2+
Molecular Weight123.18 g/mol
Exact Mass123.09
IUPAC Name[2-(methylamino)phenyl]azanium
SMILESCNc1ccccc1[NH3+]
InChIInChI=1S/C7H10N2/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,8H2,1H3/p+1
InChIKeyRPKCLSMBVQLWIN-UHFFFAOYSA-O
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)phenyl]azanium?
The IUPAC name of [2-(methylamino)phenyl]azanium (CID 143395954) is [2-(methylamino)phenyl]azanium.
What is the SMILES notation for [2-(methylamino)phenyl]azanium?
The canonical SMILES for [2-(methylamino)phenyl]azanium is CNc1ccccc1[NH3+].
What is the InChIKey of [2-(methylamino)phenyl]azanium?
The InChIKey is RPKCLSMBVQLWIN-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10N2/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,8H2,1H3/p+1.
What are the key properties of [2-(methylamino)phenyl]azanium?
[2-(methylamino)phenyl]azanium has a molecular weight of 123.18 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)phenyl]azanium is sourced from PubChem (CID 143395954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).