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

C13H20ClN3O — CID 82950924

IUPAC2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCOC)C(C)C)cc1Cl
InChIInChI=1S/C13H20ClN3O/c1-9(2)17(6-7-18-3)10-4-5-11(13(15)16)12(14)8-10/h4-5,8-9H,6-7H2,1-3H3,(H3,15,16)
InChIKeyDSBFGSRYFSTDAF-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.49
Rot. Bonds6

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

2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide (PubChem CID 82950924) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide
PubChem CID82950924
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCOC)C(C)C)cc1Cl
InChIInChI=1S/C13H20ClN3O/c1-9(2)17(6-7-18-3)10-4-5-11(13(15)16)12(14)8-10/h4-5,8-9H,6-7H2,1-3H3,(H3,15,16)
InChIKeyDSBFGSRYFSTDAF-UHFFFAOYSA-N
XLogP2.49
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.49
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-[propan-2-yl(propyl)amino]benzenecarboximidamide
CID 62947689
2-chloro-4-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 62947687
4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide
CID 55152073
2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 55180801
2-[2-methoxyethyl(propan-2-yl)amino]-6-methylpyridine-3-carboximidamide
CID 82951585
2-chloro-4-[3-hydroxybutyl(methyl)amino]benzenecarboximidamide
CID 113499629
4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 63092339
2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 82939570
2-chloro-4-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 62948368
2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide
CID 62947859
4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 55180610
4-[2-methoxyethyl(propan-2-yl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 82938869

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide?
The IUPAC name of 2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide (CID 82950924) is 2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide?
The canonical SMILES for 2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(CCOC)C(C)C)cc1Cl.
What is the InChIKey of 2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide?
The InChIKey is DSBFGSRYFSTDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9(2)17(6-7-18-3)10-4-5-11(13(15)16)12(14)8-10/h4-5,8-9H,6-7H2,1-3H3,(H3,15,16).
What are the key properties of 2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide?
2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide has a molecular weight of 269.78 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 82950924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).