2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide

C17H21N3 — CID 107109995

IUPAC2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(CC)Cc1ccccc1
InChIInChI=1S/C17H21N3/c1-3-20(12-14-9-5-4-6-10-14)16-13(2)8-7-11-15(16)17(18)19/h4-11H,3,12H2,1-2H3,(H3,18,19)
InChIKeyVGYGRMLRSFCBJT-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.31
Rot. Bonds5

About 2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide

2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide (PubChem CID 107109995) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide
PubChem CID107109995
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(CC)Cc1ccccc1
InChIInChI=1S/C17H21N3/c1-3-20(12-14-9-5-4-6-10-14)16-13(2)8-7-11-15(16)17(18)19/h4-11H,3,12H2,1-2H3,(H3,18,19)
InChIKeyVGYGRMLRSFCBJT-UHFFFAOYSA-N
XLogP3.31
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.31
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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Related Compounds

2-(diethylamino)-3-methylbenzenecarboximidamide
CID 107109942
2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide
CID 107110111
4-[benzyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285393
2-[(4-bromophenyl)methyl-methylamino]-3-methylbenzenecarboximidamide
CID 107110089
2-[benzyl(ethyl)amino]-6-bromobenzenecarboximidamide
CID 114883608
2-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110403
2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110059
2-(dibenzylamino)pyridine-3-carboximidamide
CID 130157138
2-[benzyl(ethyl)amino]pyrimidine-4-carboximidamide
CID 107550123
2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide
CID 107110122
3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 107110148
3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide
CID 107110036

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide (CID 107109995) is 2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1N(CC)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide?
The InChIKey is VGYGRMLRSFCBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-20(12-14-9-5-4-6-10-14)16-13(2)8-7-11-15(16)17(18)19/h4-11H,3,12H2,1-2H3,(H3,18,19).
What are the key properties of 2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide?
2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide has a molecular weight of 267.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107109995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).