2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide

C16H17ClN2O — CID 107110642

IUPAC2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1Oc1ccc(Cl)c(CC)c1
InChIInChI=1S/C16H17ClN2O/c1-3-11-9-12(7-8-14(11)17)20-15-10(2)5-4-6-13(15)16(18)19/h4-9H,3H2,1-2H3,(H3,18,19)
InChIKeyHGZAYKMQULHVIP-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.29
Rot. Bonds4

About 2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide

2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide (PubChem CID 107110642) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide
PubChem CID107110642
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1Oc1ccc(Cl)c(CC)c1
InChIInChI=1S/C16H17ClN2O/c1-3-11-9-12(7-8-14(11)17)20-15-10(2)5-4-6-13(15)16(18)19/h4-9H,3H2,1-2H3,(H3,18,19)
InChIKeyHGZAYKMQULHVIP-UHFFFAOYSA-N
XLogP4.29
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110587
2-(2-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110639
2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide
CID 107709009
2-(2-chloro-5-nitrophenoxy)-3-methylbenzenecarboximidamide
CID 107110702
2-butoxy-3-methylbenzenecarboximidamide
CID 107110644
2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide
CID 107717023
2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide
CID 107551013
3-methyl-2-quinolin-3-yloxybenzenecarboximidamide
CID 107387226
3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline
CID 106891009
3-(4-chloro-3-ethylphenoxy)aniline
CID 11021230
2-chloro-4-(4-chloro-3-ethylphenoxy)benzenecarbothioamide
CID 63518433
4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide
CID 81268609

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide?
The IUPAC name of 2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide (CID 107110642) is 2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1Oc1ccc(Cl)c(CC)c1.
What is the InChIKey of 2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide?
The InChIKey is HGZAYKMQULHVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-3-11-9-12(7-8-14(11)17)20-15-10(2)5-4-6-13(15)16(18)19/h4-9H,3H2,1-2H3,(H3,18,19).
What are the key properties of 2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide?
2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide has a molecular weight of 288.78 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107110642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).