4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide

C15H24ClN3O — CID 63092339

IUPAC4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(CCOC)C(CC)CC
InChIInChI=1S/C15H24ClN3O/c1-4-12(5-2)19(8-9-20-3)14-10-11(16)6-7-13(14)15(17)18/h6-7,10,12H,4-5,8-9H2,1-3H3,(H3,17,18)
InChIKeyGWHDYVNJYFYWCU-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.27
Rot. Bonds8

About 4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide

4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide (PubChem CID 63092339) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide
PubChem CID63092339
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(CCOC)C(CC)CC
InChIInChI=1S/C15H24ClN3O/c1-4-12(5-2)19(8-9-20-3)14-10-11(16)6-7-13(14)15(17)18/h6-7,10,12H,4-5,8-9H2,1-3H3,(H3,17,18)
InChIKeyGWHDYVNJYFYWCU-UHFFFAOYSA-N
XLogP3.27
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.27
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-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 55180801
4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 63094375
2-[2-methoxyethyl(pentan-3-yl)amino]-5-methylbenzenecarboximidamide
CID 107930430
4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 55180610
2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 82939011
2-[2-methoxyethyl(pentan-3-yl)amino]-3-methylbenzenecarboximidamide
CID 107110158
2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide
CID 82950924
4-chloro-2-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552195
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide
CID 81299918
2-[butan-2-yl(methyl)amino]-5-chlorobenzenecarboximidamide
CID 62493913
4-chloro-N'-hydroxy-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 76984936
4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide
CID 63093350

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide?
The IUPAC name of 4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide (CID 63092339) is 4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1N(CCOC)C(CC)CC.
What is the InChIKey of 4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide?
The InChIKey is GWHDYVNJYFYWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-12(5-2)19(8-9-20-3)14-10-11(16)6-7-13(14)15(17)18/h6-7,10,12H,4-5,8-9H2,1-3H3,(H3,17,18).
What are the key properties of 4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide?
4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide has a molecular weight of 297.83 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 63092339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).