2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide

C15H17ClN4 — CID 62502784

IUPAC2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(C)CCc1ccccn1
InChIInChI=1S/C15H17ClN4/c1-20(10-8-11-5-2-3-9-19-11)13-7-4-6-12(16)14(13)15(17)18/h2-7,9H,8,10H2,1H3,(H3,17,18)
InChIKeyIVIWJONPROJOCT-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.70
Rot. Bonds5

About 2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide

2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide (PubChem CID 62502784) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
PubChem CID62502784
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(C)CCc1ccccn1
InChIInChI=1S/C15H17ClN4/c1-20(10-8-11-5-2-3-9-19-11)13-7-4-6-12(16)14(13)15(17)18/h2-7,9H,8,10H2,1H3,(H3,17,18)
InChIKeyIVIWJONPROJOCT-UHFFFAOYSA-N
XLogP2.70
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.70
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-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 76945369
2-chloro-6-[2-methoxyethyl(methyl)amino]benzenecarboximidamide
CID 62497153
2-chloro-6-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200184
4-methoxy-2-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 81300119
2-chloro-6-[2,2-dimethylpropyl(methyl)amino]benzenecarboximidamide
CID 55079559
2-chloro-6-[methyl(pyridin-2-ylmethyl)amino]benzenecarbothioamide
CID 62502960
2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 114323465
2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 79522521
2-chloro-6-(diethylamino)benzenecarboximidamide
CID 62502596
2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide
CID 62496666
4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide
CID 55179840
2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 43188910

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide?
The IUPAC name of 2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide (CID 62502784) is 2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1N(C)CCc1ccccn1.
What is the InChIKey of 2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide?
The InChIKey is IVIWJONPROJOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-20(10-8-11-5-2-3-9-19-11)13-7-4-6-12(16)14(13)15(17)18/h2-7,9H,8,10H2,1H3,(H3,17,18).
What are the key properties of 2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide?
2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide has a molecular weight of 288.78 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 62502784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).