3-chloro-4-(2-methoxyethylamino)benzenecarboximidamide

C10H14ClN3O — CID 63089058

IUPAC3-chloro-4-(2-methoxyethylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NCCOC)c(Cl)c1
InChIInChI=1S/C10H14ClN3O/c1-15-5-4-14-9-3-2-7(10(12)13)6-8(9)11/h2-3,6,14H,4-5H2,1H3,(H3,12,13)
InChIKeyOFDJTZLZYULJNW-UHFFFAOYSA-N
MW227.70 g/mol
LogP1.68
Rot. Bonds5

About 3-chloro-4-(2-methoxyethylamino)benzenecarboximidamide

3-chloro-4-(2-methoxyethylamino)benzenecarboximidamide (PubChem CID 63089058) has the molecular formula C10H14ClN3O and a molecular weight of 227.70 g/mol. Its IUPAC name is 3-chloro-4-(2-methoxyethylamino)benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(2-methoxyethylamino)benzenecarboximidamide
PubChem CID63089058
Molecular FormulaC10H14ClN3O
Molecular Weight227.70 g/mol
Exact Mass227.08
IUPAC Name3-chloro-4-(2-methoxyethylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NCCOC)c(Cl)c1
InChIInChI=1S/C10H14ClN3O/c1-15-5-4-14-9-3-2-7(10(12)13)6-8(9)11/h2-3,6,14H,4-5H2,1H3,(H3,12,13)
InChIKeyOFDJTZLZYULJNW-UHFFFAOYSA-N
XLogP1.68
TPSA71.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 19807713
5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide
CID 63669341
3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402785
2-[2-(3-aminophenyl)-3-chloro-6-hydroxy-5-(2-methoxyethylamino)phenyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 10184431
N-[[4-carbamimidoyl-2-(2-methoxyethylamino)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 11338547
4-(2-aminoethylamino)-3-chlorobenzamide
CID 63092115
3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 102667838
1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone
CID 82535653
4-(2-butoxyethylamino)-3-chlorobenzenecarbothioamide
CID 55182191
3-chloro-4-(hydroxymethyl)benzenecarboximidamide
CID 102668142
4-(2-butoxyethoxymethyl)-3-chlorobenzenecarboximidamide
CID 102668129
4-(2-methoxyprop-2-enylamino)-3-methylbenzenecarboximidamide
CID 21341373

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-methoxyethylamino)benzenecarboximidamide?
The IUPAC name of 3-chloro-4-(2-methoxyethylamino)benzenecarboximidamide (CID 63089058) is 3-chloro-4-(2-methoxyethylamino)benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(2-methoxyethylamino)benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(2-methoxyethylamino)benzenecarboximidamide is [H]/N=C(\N)c1ccc(NCCOC)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2-methoxyethylamino)benzenecarboximidamide?
The InChIKey is OFDJTZLZYULJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-15-5-4-14-9-3-2-7(10(12)13)6-8(9)11/h2-3,6,14H,4-5H2,1H3,(H3,12,13).
What are the key properties of 3-chloro-4-(2-methoxyethylamino)benzenecarboximidamide?
3-chloro-4-(2-methoxyethylamino)benzenecarboximidamide has a molecular weight of 227.70 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-methoxyethylamino)benzenecarboximidamide is sourced from PubChem (CID 63089058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).