2-chloro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarboximidamide

C14H21ClN4 — CID 63207722

IUPAC2-chloro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CCN2CCCC2)cc1Cl
InChIInChI=1S/C14H21ClN4/c1-18(8-9-19-6-2-3-7-19)11-4-5-12(14(16)17)13(15)10-11/h4-5,10H,2-3,6-9H2,1H3,(H3,16,17)
InChIKeySHKQMYWWBNEDTI-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.16
Rot. Bonds5

About 2-chloro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarboximidamide

2-chloro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarboximidamide (PubChem CID 63207722) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-chloro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarboximidamide
PubChem CID63207722
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name2-chloro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CCN2CCCC2)cc1Cl
InChIInChI=1S/C14H21ClN4/c1-18(8-9-19-6-2-3-7-19)11-4-5-12(14(16)17)13(15)10-11/h4-5,10H,2-3,6-9H2,1H3,(H3,16,17)
InChIKeySHKQMYWWBNEDTI-UHFFFAOYSA-N
XLogP2.16
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.16
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-4-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 62948368
2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide
CID 62947859
2-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 63236890
2-chloro-4-[3-hydroxybutyl(methyl)amino]benzenecarboximidamide
CID 113499629
2-chloro-4-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 62947687
6-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboximidamide
CID 63207811
2-chloro-4-[(2-hydroxy-2-methylpropyl)-methylamino]benzenecarboximidamide
CID 79387914
4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide
CID 55152073
2-chloro-4-[propan-2-yl(propyl)amino]benzenecarboximidamide
CID 62947689
4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
CID 55162446
2-chloro-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 107480241
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(2-pyrrolidin-1-ylethyl)amino]benzenecarboximidamide?
The IUPAC name of 2-chloro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarboximidamide (CID 63207722) is 2-chloro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarboximidamide?
The canonical SMILES for 2-chloro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)CCN2CCCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarboximidamide?
The InChIKey is SHKQMYWWBNEDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-18(8-9-19-6-2-3-7-19)11-4-5-12(14(16)17)13(15)10-11/h4-5,10H,2-3,6-9H2,1H3,(H3,16,17).
What are the key properties of 2-chloro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarboximidamide?
2-chloro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarboximidamide has a molecular weight of 280.80 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 63207722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).