2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide

C11H16ClN3 — CID 62947859

IUPAC2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CCC)cc1Cl
InChIInChI=1S/C11H16ClN3/c1-3-6-15(2)8-4-5-9(11(13)14)10(12)7-8/h4-5,7H,3,6H2,1-2H3,(H3,13,14)
InChIKeyNHWFPPBCRQTXLS-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.47
Rot. Bonds4

About 2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide

2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide (PubChem CID 62947859) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide
PubChem CID62947859
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CCC)cc1Cl
InChIInChI=1S/C11H16ClN3/c1-3-6-15(2)8-4-5-9(11(13)14)10(12)7-8/h4-5,7H,3,6H2,1-2H3,(H3,13,14)
InChIKeyNHWFPPBCRQTXLS-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
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

2-chloro-4-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 62948368
2-chloro-4-[3-hydroxybutyl(methyl)amino]benzenecarboximidamide
CID 113499629
2-chloro-4-[propan-2-yl(propyl)amino]benzenecarboximidamide
CID 62947689
2-chloro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarboximidamide
CID 63207722
2-chloro-4-[(2-hydroxy-2-methylpropyl)-methylamino]benzenecarboximidamide
CID 79387914
2-chloro-4-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 62947687
5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754
4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide
CID 55152073
2-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 63236890
3-[methyl(propyl)amino]benzenecarboximidamide
CID 62970999
2-chloro-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
CID 79387648
2-chloro-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide
CID 62948030

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide?
The IUPAC name of 2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide (CID 62947859) is 2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide?
The canonical SMILES for 2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)CCC)cc1Cl.
What is the InChIKey of 2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide?
The InChIKey is NHWFPPBCRQTXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-3-6-15(2)8-4-5-9(11(13)14)10(12)7-8/h4-5,7H,3,6H2,1-2H3,(H3,13,14).
What are the key properties of 2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide?
2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide has a molecular weight of 225.72 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide is sourced from PubChem (CID 62947859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).