2-chloro-3-(2-ethoxyphenyl)propanimidamide

C11H15ClN2O — CID 141327609

IUPAC2-chloro-3-(2-ethoxyphenyl)propanimidamide
SMILES[H]/N=C(\N)C(Cl)Cc1ccccc1OCC
InChIInChI=1S/C11H15ClN2O/c1-2-15-10-6-4-3-5-8(10)7-9(12)11(13)14/h3-6,9H,2,7H2,1H3,(H3,13,14)
InChIKeyUUQUGWBGXZHOGH-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.17
Rot. Bonds5

About 2-chloro-3-(2-ethoxyphenyl)propanimidamide

2-chloro-3-(2-ethoxyphenyl)propanimidamide (PubChem CID 141327609) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-3-(2-ethoxyphenyl)propanimidamide.

Molecular Properties

Compound Name2-chloro-3-(2-ethoxyphenyl)propanimidamide
PubChem CID141327609
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-chloro-3-(2-ethoxyphenyl)propanimidamide
SMILES[H]/N=C(\N)C(Cl)Cc1ccccc1OCC
InChIInChI=1S/C11H15ClN2O/c1-2-15-10-6-4-3-5-8(10)7-9(12)11(13)14/h3-6,9H,2,7H2,1H3,(H3,13,14)
InChIKeyUUQUGWBGXZHOGH-UHFFFAOYSA-N
XLogP2.17
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine
CID 42325849
2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
1-carbamimidoyl-2-[(2-ethoxyphenyl)methyl]-1-methylguanidine
CID 24839332
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide
CID 65488377
4-(2-ethoxyphenoxy)butanimidamide
CID 24698549
(2-ethoxyphenyl)methyldiazene
CID 123983555
1-(3-chlorobutyl)-2-ethoxybenzene
CID 64514219
2-[2-(hydroxymethyl)phenoxy]butanimidamide
CID 63653622
3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118134
(2S)-2-ethoxy-3-(2-ethoxyphenyl)propanoic acid
CID 100543964
1-ethoxy-2-(methylsulfanylmethyl)benzene
CID 130225008
(2R)-2-[(2-ethoxyphenyl)methylamino]-2-phenylacetamide
CID 95582076

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-ethoxyphenyl)propanimidamide?
The IUPAC name of 2-chloro-3-(2-ethoxyphenyl)propanimidamide (CID 141327609) is 2-chloro-3-(2-ethoxyphenyl)propanimidamide.
What is the SMILES notation for 2-chloro-3-(2-ethoxyphenyl)propanimidamide?
The canonical SMILES for 2-chloro-3-(2-ethoxyphenyl)propanimidamide is [H]/N=C(\N)C(Cl)Cc1ccccc1OCC.
What is the InChIKey of 2-chloro-3-(2-ethoxyphenyl)propanimidamide?
The InChIKey is UUQUGWBGXZHOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-2-15-10-6-4-3-5-8(10)7-9(12)11(13)14/h3-6,9H,2,7H2,1H3,(H3,13,14).
What are the key properties of 2-chloro-3-(2-ethoxyphenyl)propanimidamide?
2-chloro-3-(2-ethoxyphenyl)propanimidamide has a molecular weight of 226.71 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-ethoxyphenyl)propanimidamide is sourced from PubChem (CID 141327609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).