2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide

C15H19N3S — CID 107110111

IUPAC2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(CC)Cc1cccs1
InChIInChI=1S/C15H19N3S/c1-3-18(10-12-7-5-9-19-12)14-11(2)6-4-8-13(14)15(16)17/h4-9H,3,10H2,1-2H3,(H3,16,17)
InChIKeyKOFCIPZGJKEYPR-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.37
Rot. Bonds5

About 2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide

2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide (PubChem CID 107110111) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide
PubChem CID107110111
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(CC)Cc1cccs1
InChIInChI=1S/C15H19N3S/c1-3-18(10-12-7-5-9-19-12)14-11(2)6-4-8-13(14)15(16)17/h4-9H,3,10H2,1-2H3,(H3,16,17)
InChIKeyKOFCIPZGJKEYPR-UHFFFAOYSA-N
XLogP3.37
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)-3-methylbenzenecarboximidamide
CID 107109942
2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide
CID 107109995
3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide
CID 80513495
2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide
CID 63668141
3-[ethyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboximidamide
CID 62684545
3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 63087220
2-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
CID 113332691
2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110059
3-chloro-2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61436708
2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide
CID 81275974
2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide
CID 107110122
2-[methyl(thiophen-2-ylmethyl)amino]quinoline-4-carboximidamide
CID 63883954

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide?
The IUPAC name of 2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide (CID 107110111) is 2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1N(CC)Cc1cccs1.
What is the InChIKey of 2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide?
The InChIKey is KOFCIPZGJKEYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-18(10-12-7-5-9-19-12)14-11(2)6-4-8-13(14)15(16)17/h4-9H,3,10H2,1-2H3,(H3,16,17).
What are the key properties of 2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide?
2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide has a molecular weight of 273.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107110111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).