2-chloro-6-[1-cyclopropylethyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide

C15H22ClN3O2 — CID 76944970

IUPAC2-chloro-6-[1-cyclopropylethyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCOCCN(c1cccc(Cl)c1C(N)=NO)C(C)C1CC1
InChIInChI=1S/C15H22ClN3O2/c1-10(11-6-7-11)19(8-9-21-2)13-5-3-4-12(16)14(13)15(17)18-20/h3-5,10-11,20H,6-9H2,1-2H3,(H2,17,18)
InChIKeyFOLHWDZXUNDKKH-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.69
Rot. Bonds7

About 2-chloro-6-[1-cyclopropylethyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide

2-chloro-6-[1-cyclopropylethyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 76944970) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-chloro-6-[1-cyclopropylethyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-[1-cyclopropylethyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID76944970
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-chloro-6-[1-cyclopropylethyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCOCCN(c1cccc(Cl)c1C(N)=NO)C(C)C1CC1
InChIInChI=1S/C15H22ClN3O2/c1-10(11-6-7-11)19(8-9-21-2)13-5-3-4-12(16)14(13)15(17)18-20/h3-5,10-11,20H,6-9H2,1-2H3,(H2,17,18)
InChIKeyFOLHWDZXUNDKKH-UHFFFAOYSA-N
XLogP2.69
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-hydroxy-6-[propan-2-yl(propyl)amino]benzenecarboximidamide
CID 55079599
2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
CID 55004124
2-[butan-2-yl(2-methoxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519526
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63368929
2-chloro-6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide
CID 62496690
2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63815654
4-(aminomethyl)-2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63086671
2-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 114879593
methyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate
CID 115545540
2-chloro-N'-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 76944987
2-chloro-6-[cyclopropyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
CID 55079645
5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
CID 114892966

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[1-cyclopropylethyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-chloro-6-[1-cyclopropylethyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide (CID 76944970) is 2-chloro-6-[1-cyclopropylethyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-[1-cyclopropylethyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-6-[1-cyclopropylethyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide is COCCN(c1cccc(Cl)c1C(N)=NO)C(C)C1CC1.
What is the InChIKey of 2-chloro-6-[1-cyclopropylethyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is FOLHWDZXUNDKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10(11-6-7-11)19(8-9-21-2)13-5-3-4-12(16)14(13)15(17)18-20/h3-5,10-11,20H,6-9H2,1-2H3,(H2,17,18).
What are the key properties of 2-chloro-6-[1-cyclopropylethyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
2-chloro-6-[1-cyclopropylethyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 311.81 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[1-cyclopropylethyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76944970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).