3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide

C11H16ClN3 — CID 102667744

IUPAC3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CC)c(Cl)c1
InChIInChI=1S/C11H16ClN3/c1-3-15(2)7-9-5-4-8(11(13)14)6-10(9)12/h4-6H,3,7H2,1-2H3,(H3,13,14)
InChIKeyGBFLMECGOXGJDW-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.08
Rot. Bonds4

About 3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide

3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide (PubChem CID 102667744) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide
PubChem CID102667744
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CC)c(Cl)c1
InChIInChI=1S/C11H16ClN3/c1-3-15(2)7-9-5-4-8(11(13)14)6-10(9)12/h4-6H,3,7H2,1-2H3,(H3,13,14)
InChIKeyGBFLMECGOXGJDW-UHFFFAOYSA-N
XLogP2.08
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.08
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

4-[[butyl(methyl)amino]methyl]-3-chlorobenzenecarboximidamide
CID 102667717
4-[[butyl(ethyl)amino]methyl]-3-chlorobenzenecarboximidamide
CID 102667719
3-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzenecarboximidamide
CID 102668007
3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide
CID 102667749
3-chloro-4-(hydroxymethyl)benzenecarboximidamide
CID 102668142
4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-fluorobenzenecarboximidamide
CID 61417008
3-chloro-4-[(4-methoxy-N-methylanilino)methyl]benzenecarboximidamide
CID 102667882
3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 102667847
3-[[(2-chloro-4-fluorophenyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 62968244
3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 102667814
3-chloro-4-(propylsulfanylmethyl)benzenecarboximidamide
CID 102668541
3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 102667838

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide (CID 102667744) is 3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(C)CC)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide?
The InChIKey is GBFLMECGOXGJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-3-15(2)7-9-5-4-8(11(13)14)6-10(9)12/h4-6H,3,7H2,1-2H3,(H3,13,14).
What are the key properties of 3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide?
3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide has a molecular weight of 225.72 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 102667744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).