3-methanimidoyl-4-methylaniline

C8H10N2 — CID 142987257

IUPAC3-methanimidoyl-4-methylaniline
SMILES[H]/N=C/c1cc(N)ccc1C
InChIInChI=1S/C8H10N2/c1-6-2-3-8(10)4-7(6)5-9/h2-5,9H,10H2,1H3/b9-5+
InChIKeyGFJDBIDEYVJVTM-WEVVVXLNSA-N
MW134.18 g/mol
LogP1.57
Rot. Bonds1

About 3-methanimidoyl-4-methylaniline

3-methanimidoyl-4-methylaniline (PubChem CID 142987257) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3-methanimidoyl-4-methylaniline.

Molecular Properties

Compound Name3-methanimidoyl-4-methylaniline
PubChem CID142987257
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name3-methanimidoyl-4-methylaniline
SMILES[H]/N=C/c1cc(N)ccc1C
InChIInChI=1S/C8H10N2/c1-6-2-3-8(10)4-7(6)5-9/h2-5,9H,10H2,1H3/b9-5+
InChIKeyGFJDBIDEYVJVTM-WEVVVXLNSA-N
XLogP1.57
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methanimidoylbenzene-1,4-diamine
CID 143170721
4-methyl-3-(methyliminomethyl)aniline
CID 143899892
[2-methyl-5-[(3E)-penta-1,3-dien-3-yl]phenyl]methanimine
CID 145262211
5-methanimidoyl-2-methoxy-4-methylaniline
CID 143227854
ethane;4-methanimidoyl-3-N-propan-2-ylbenzene-1,3-diamine
CID 177244096
(5-butoxy-2-methylphenyl)methanimine
CID 168997524
[2-methyl-5-[(2E)-penta-2,4-dien-2-yl]phenyl]methanimine
CID 143605235
4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine
CID 155713764
5-amino-4-methanimidoyl-2-methylphenol
CID 164586972
2-methanimidoyl-4-(4-methylphenyl)aniline
CID 145157204
(4-methyl-3-pyridinyl)methanimine
CID 89161625
4-methanimidoyl-3-N,6-dimethylbenzene-1,3-diamine
CID 146283933

Frequently Asked Questions

What is the IUPAC name of 3-methanimidoyl-4-methylaniline?
The IUPAC name of 3-methanimidoyl-4-methylaniline (CID 142987257) is 3-methanimidoyl-4-methylaniline.
What is the SMILES notation for 3-methanimidoyl-4-methylaniline?
The canonical SMILES for 3-methanimidoyl-4-methylaniline is [H]/N=C/c1cc(N)ccc1C.
What is the InChIKey of 3-methanimidoyl-4-methylaniline?
The InChIKey is GFJDBIDEYVJVTM-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H10N2/c1-6-2-3-8(10)4-7(6)5-9/h2-5,9H,10H2,1H3/b9-5+.
What are the key properties of 3-methanimidoyl-4-methylaniline?
3-methanimidoyl-4-methylaniline has a molecular weight of 134.18 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoyl-4-methylaniline is sourced from PubChem (CID 142987257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).