2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenecarboximidamide

C14H21ClN4 — CID 63276142

IUPAC2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(C)CC1CCN(C)C1
InChIInChI=1S/C14H21ClN4/c1-18-7-6-10(8-18)9-19(2)12-5-3-4-11(15)13(12)14(16)17/h3-5,10H,6-9H2,1-2H3,(H3,16,17)
InChIKeyVSOFIMFLEJEGGC-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.01
Rot. Bonds4

About 2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenecarboximidamide

2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenecarboximidamide (PubChem CID 63276142) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenecarboximidamide
PubChem CID63276142
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(C)CC1CCN(C)C1
InChIInChI=1S/C14H21ClN4/c1-18-7-6-10(8-18)9-19(2)12-5-3-4-11(15)13(12)14(16)17/h3-5,10H,6-9H2,1-2H3,(H3,16,17)
InChIKeyVSOFIMFLEJEGGC-UHFFFAOYSA-N
XLogP2.01
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.01
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-6-[2,2-dimethylpropyl(methyl)amino]benzenecarboximidamide
CID 55079559
2-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 63236890
2-chloro-6-[2-methoxyethyl(methyl)amino]benzenecarboximidamide
CID 62497153
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 63236757
3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 107110265
2-chloro-6-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200184
2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552204
2-chloro-6-(diethylamino)benzenecarboximidamide
CID 62502596
6-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carboximidamide
CID 107550498
2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63275703
3-chloro-4-[cyclopropylmethyl(methyl)amino]benzenecarboximidamide
CID 63088227
2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide
CID 63170372

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenecarboximidamide?
The IUPAC name of 2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenecarboximidamide (CID 63276142) is 2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1N(C)CC1CCN(C)C1.
What is the InChIKey of 2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenecarboximidamide?
The InChIKey is VSOFIMFLEJEGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-18-7-6-10(8-18)9-19(2)12-5-3-4-11(15)13(12)14(16)17/h3-5,10H,6-9H2,1-2H3,(H3,16,17).
What are the key properties of 2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenecarboximidamide?
2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenecarboximidamide has a molecular weight of 280.80 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenecarboximidamide is sourced from PubChem (CID 63276142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).