2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide

C16H18ClN3 — CID 62978295

IUPAC2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3/c1-11(12-7-9-13(17)10-8-12)20(2)15-6-4-3-5-14(15)16(18)19/h3-11H,1-2H3,(H3,18,19)
InChIKeyYGSPPUOUPPPZHS-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.82
Rot. Bonds4

About 2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide

2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide (PubChem CID 62978295) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
PubChem CID62978295
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3/c1-11(12-7-9-13(17)10-8-12)20(2)15-6-4-3-5-14(15)16(18)19/h3-11H,1-2H3,(H3,18,19)
InChIKeyYGSPPUOUPPPZHS-UHFFFAOYSA-N
XLogP3.82
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.82
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

5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
CID 62978649
2-[methyl(pentan-2-yl)amino]benzenecarboximidamide
CID 43572161
6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carboximidamide
CID 64594775
2-[1-(2-chlorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide
CID 107930491
2-[butan-2-yl(methyl)amino]-5-chlorobenzenecarboximidamide
CID 62493913
6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboximidamide
CID 62978126
2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide
CID 107930493
2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 62334639
3-bromo-4-[1-(3-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
CID 82787154
4-chloro-2-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552195
2-[methyl(4-methylpentyl)amino]benzenecarboximidamide
CID 83157429
N-[1-(4-chlorophenyl)ethyl]-N-methylbenzenecarboximidamide
CID 63181437

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide?
The IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide (CID 62978295) is 2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1N(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide?
The InChIKey is YGSPPUOUPPPZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-11(12-7-9-13(17)10-8-12)20(2)15-6-4-3-5-14(15)16(18)19/h3-11H,1-2H3,(H3,18,19).
What are the key properties of 2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide?
2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide has a molecular weight of 287.79 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 62978295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).