2-chloro-4-(dimethylamino)benzenecarboximidamide

C9H12ClN3 — CID 62948697

IUPAC2-chloro-4-(dimethylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)C)cc1Cl
InChIInChI=1S/C9H12ClN3/c1-13(2)6-3-4-7(9(11)12)8(10)5-6/h3-5H,1-2H3,(H3,11,12)
InChIKeyXAMUIIKNMKOFKH-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.69
Rot. Bonds2

About 2-chloro-4-(dimethylamino)benzenecarboximidamide

2-chloro-4-(dimethylamino)benzenecarboximidamide (PubChem CID 62948697) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-chloro-4-(dimethylamino)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-(dimethylamino)benzenecarboximidamide
PubChem CID62948697
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name2-chloro-4-(dimethylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)C)cc1Cl
InChIInChI=1S/C9H12ClN3/c1-13(2)6-3-4-7(9(11)12)8(10)5-6/h3-5H,1-2H3,(H3,11,12)
InChIKeyXAMUIIKNMKOFKH-UHFFFAOYSA-N
XLogP1.69
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.69
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(dimethylamino)benzenecarboximidamide?
The IUPAC name of 2-chloro-4-(dimethylamino)benzenecarboximidamide (CID 62948697) is 2-chloro-4-(dimethylamino)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-(dimethylamino)benzenecarboximidamide?
The canonical SMILES for 2-chloro-4-(dimethylamino)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)C)cc1Cl.
What is the InChIKey of 2-chloro-4-(dimethylamino)benzenecarboximidamide?
The InChIKey is XAMUIIKNMKOFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-13(2)6-3-4-7(9(11)12)8(10)5-6/h3-5H,1-2H3,(H3,11,12).
What are the key properties of 2-chloro-4-(dimethylamino)benzenecarboximidamide?
2-chloro-4-(dimethylamino)benzenecarboximidamide has a molecular weight of 197.67 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(dimethylamino)benzenecarboximidamide is sourced from PubChem (CID 62948697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).