2-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-4-methylphenol

C11H16N2O — CID 137181033

IUPAC2-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-4-methylphenol
SMILESC/C(=N\CCN)c1cc(C)ccc1O
InChIInChI=1S/C11H16N2O/c1-8-3-4-11(14)10(7-8)9(2)13-6-5-12/h3-4,7,14H,5-6,12H2,1-2H3/b13-9+
InChIKeyZQYFDMNBXKTGAV-UKTHLTGXSA-N
MW192.26 g/mol
LogP1.47
Rot. Bonds3

About 2-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-4-methylphenol

2-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-4-methylphenol (PubChem CID 137181033) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-4-methylphenol.

Molecular Properties

Compound Name2-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-4-methylphenol
PubChem CID137181033
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-4-methylphenol
SMILESC/C(=N\CCN)c1cc(C)ccc1O
InChIInChI=1S/C11H16N2O/c1-8-3-4-11(14)10(7-8)9(2)13-6-5-12/h3-4,7,14H,5-6,12H2,1-2H3/b13-9+
InChIKeyZQYFDMNBXKTGAV-UKTHLTGXSA-N
XLogP1.47
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-4-methylphenol?
The IUPAC name of 2-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-4-methylphenol (CID 137181033) is 2-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-4-methylphenol.
What is the SMILES notation for 2-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-4-methylphenol?
The canonical SMILES for 2-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-4-methylphenol is C/C(=N\CCN)c1cc(C)ccc1O.
What is the InChIKey of 2-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-4-methylphenol?
The InChIKey is ZQYFDMNBXKTGAV-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-3-4-11(14)10(7-8)9(2)13-6-5-12/h3-4,7,14H,5-6,12H2,1-2H3/b13-9+.
What are the key properties of 2-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-4-methylphenol?
2-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-4-methylphenol has a molecular weight of 192.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-4-methylphenol is sourced from PubChem (CID 137181033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).