2-(N-ethyl-3-methylanilino)benzenecarboximidamide

C16H19N3 — CID 61075693

IUPAC2-(N-ethyl-3-methylanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(CC)c1cccc(C)c1
InChIInChI=1S/C16H19N3/c1-3-19(13-8-6-7-12(2)11-13)15-10-5-4-9-14(15)16(17)18/h4-11H,3H2,1-2H3,(H3,17,18)
InChIKeyIMBKGPHEFARUHK-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.44
Rot. Bonds4

About 2-(N-ethyl-3-methylanilino)benzenecarboximidamide

2-(N-ethyl-3-methylanilino)benzenecarboximidamide (PubChem CID 61075693) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(N-ethyl-3-methylanilino)benzenecarboximidamide.

Molecular Properties

Compound Name2-(N-ethyl-3-methylanilino)benzenecarboximidamide
PubChem CID61075693
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-(N-ethyl-3-methylanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(CC)c1cccc(C)c1
InChIInChI=1S/C16H19N3/c1-3-19(13-8-6-7-12(2)11-13)15-10-5-4-9-14(15)16(17)18/h4-11H,3H2,1-2H3,(H3,17,18)
InChIKeyIMBKGPHEFARUHK-UHFFFAOYSA-N
XLogP3.44
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methylanilino)benzenecarboximidamide?
The IUPAC name of 2-(N-ethyl-3-methylanilino)benzenecarboximidamide (CID 61075693) is 2-(N-ethyl-3-methylanilino)benzenecarboximidamide.
What is the SMILES notation for 2-(N-ethyl-3-methylanilino)benzenecarboximidamide?
The canonical SMILES for 2-(N-ethyl-3-methylanilino)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1N(CC)c1cccc(C)c1.
What is the InChIKey of 2-(N-ethyl-3-methylanilino)benzenecarboximidamide?
The InChIKey is IMBKGPHEFARUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-3-19(13-8-6-7-12(2)11-13)15-10-5-4-9-14(15)16(17)18/h4-11H,3H2,1-2H3,(H3,17,18).
What are the key properties of 2-(N-ethyl-3-methylanilino)benzenecarboximidamide?
2-(N-ethyl-3-methylanilino)benzenecarboximidamide has a molecular weight of 253.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-methylanilino)benzenecarboximidamide is sourced from PubChem (CID 61075693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).