2-(2-aminoethanimidoyl)-4-methylphenol

C9H12N2O — CID 142030299

IUPAC2-(2-aminoethanimidoyl)-4-methylphenol
SMILES[H]/N=C(\CN)c1cc(C)ccc1O
InChIInChI=1S/C9H12N2O/c1-6-2-3-9(12)7(4-6)8(11)5-10/h2-4,11-12H,5,10H2,1H3/b11-8+
InChIKeyBBZDVFWJJXXEQO-DHZHZOJOSA-N
MW164.21 g/mol
LogP1.03
Rot. Bonds2

About 2-(2-aminoethanimidoyl)-4-methylphenol

2-(2-aminoethanimidoyl)-4-methylphenol (PubChem CID 142030299) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(2-aminoethanimidoyl)-4-methylphenol.

Molecular Properties

Compound Name2-(2-aminoethanimidoyl)-4-methylphenol
PubChem CID142030299
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-(2-aminoethanimidoyl)-4-methylphenol
SMILES[H]/N=C(\CN)c1cc(C)ccc1O
InChIInChI=1S/C9H12N2O/c1-6-2-3-9(12)7(4-6)8(11)5-10/h2-4,11-12H,5,10H2,1H3/b11-8+
InChIKeyBBZDVFWJJXXEQO-DHZHZOJOSA-N
XLogP1.03
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxy-5-methylphenyl)ethanimidamide
CID 83676586
4-methyl-2-propanimidoylaniline;molecular hydrogen
CID 176988510
2-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-4-methylphenol
CID 137181033
2-[(Z)-1-aminobut-1-enyl]-4-methylphenol
CID 142053598
2-but-1-en-2-yl-4-methylphenol
CID 142975945
1-(2-hydroxy-5-methylphenyl)butan-1-one
CID 4119461
potassium 2-hydroxy-5-methylbenzoate
CID 67847974
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol
CID 135641577
2-(diazenylmethyl)-4-methylphenol
CID 123647682
2-amino-5-methylbenzenecarboximidoyl chloride;ethane
CID 176988809
1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone
CID 82600157
2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-methylphenol
CID 144993634

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethanimidoyl)-4-methylphenol?
The IUPAC name of 2-(2-aminoethanimidoyl)-4-methylphenol (CID 142030299) is 2-(2-aminoethanimidoyl)-4-methylphenol.
What is the SMILES notation for 2-(2-aminoethanimidoyl)-4-methylphenol?
The canonical SMILES for 2-(2-aminoethanimidoyl)-4-methylphenol is [H]/N=C(\CN)c1cc(C)ccc1O.
What is the InChIKey of 2-(2-aminoethanimidoyl)-4-methylphenol?
The InChIKey is BBZDVFWJJXXEQO-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-2-3-9(12)7(4-6)8(11)5-10/h2-4,11-12H,5,10H2,1H3/b11-8+.
What are the key properties of 2-(2-aminoethanimidoyl)-4-methylphenol?
2-(2-aminoethanimidoyl)-4-methylphenol has a molecular weight of 164.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethanimidoyl)-4-methylphenol is sourced from PubChem (CID 142030299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).