2-chloro-4-(propan-2-ylamino)benzenecarboximidamide

C10H14ClN3 — CID 62946876

IUPAC2-chloro-4-(propan-2-ylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NC(C)C)cc1Cl
InChIInChI=1S/C10H14ClN3/c1-6(2)14-7-3-4-8(10(12)13)9(11)5-7/h3-6,14H,1-2H3,(H3,12,13)
InChIKeyHYBXXKGTZCDBBK-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.44
Rot. Bonds3

About 2-chloro-4-(propan-2-ylamino)benzenecarboximidamide

2-chloro-4-(propan-2-ylamino)benzenecarboximidamide (PubChem CID 62946876) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 2-chloro-4-(propan-2-ylamino)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-(propan-2-ylamino)benzenecarboximidamide
PubChem CID62946876
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name2-chloro-4-(propan-2-ylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NC(C)C)cc1Cl
InChIInChI=1S/C10H14ClN3/c1-6(2)14-7-3-4-8(10(12)13)9(11)5-7/h3-6,14H,1-2H3,(H3,12,13)
InChIKeyHYBXXKGTZCDBBK-UHFFFAOYSA-N
XLogP2.44
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.44
H-Bond Donors ≤ 53
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-chloro-4-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 62947687
2-chloro-4-fluorobenzenecarboximidamide
CID 3626359
4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide
CID 55152073
5-(propan-2-ylamino)pyridine-2-carboximidamide
CID 115489626
2-chloro-4-(4-methylpentan-2-yloxy)benzenecarboximidamide
CID 62949045
2-chloro-4-(2-methylbutoxy)benzenecarboximidamide
CID 102724610
2-chloro-4-[propan-2-yl(propyl)amino]benzenecarboximidamide
CID 62947689
2-chloro-6-(propan-2-ylamino)benzenecarboximidamide
CID 62497171
2-chloro-4-[3-hydroxybutyl(methyl)amino]benzenecarboximidamide
CID 113499629
4-(butan-2-ylamino)-2-chlorobenzamide
CID 43736488
2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide
CID 82950924
2-chloro-4-cycloheptyloxybenzenecarboximidamide
CID 55154723

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(propan-2-ylamino)benzenecarboximidamide?
The IUPAC name of 2-chloro-4-(propan-2-ylamino)benzenecarboximidamide (CID 62946876) is 2-chloro-4-(propan-2-ylamino)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-(propan-2-ylamino)benzenecarboximidamide?
The canonical SMILES for 2-chloro-4-(propan-2-ylamino)benzenecarboximidamide is [H]/N=C(\N)c1ccc(NC(C)C)cc1Cl.
What is the InChIKey of 2-chloro-4-(propan-2-ylamino)benzenecarboximidamide?
The InChIKey is HYBXXKGTZCDBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-6(2)14-7-3-4-8(10(12)13)9(11)5-7/h3-6,14H,1-2H3,(H3,12,13).
What are the key properties of 2-chloro-4-(propan-2-ylamino)benzenecarboximidamide?
2-chloro-4-(propan-2-ylamino)benzenecarboximidamide has a molecular weight of 211.70 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(propan-2-ylamino)benzenecarboximidamide is sourced from PubChem (CID 62946876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).