5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide

C17H19ClN2O — CID 63523635

IUPAC5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1Oc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C17H19ClN2O/c1-10(2)14-6-5-13(8-11(14)3)21-16-7-4-12(18)9-15(16)17(19)20/h4-10H,1-3H3,(H3,19,20)
InChIKeyVAFBQVYWBHPPMO-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.85
Rot. Bonds4

About 5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide

5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide (PubChem CID 63523635) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide
PubChem CID63523635
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1Oc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C17H19ClN2O/c1-10(2)14-6-5-13(8-11(14)3)21-16-7-4-12(18)9-15(16)17(19)20/h4-10H,1-3H3,(H3,19,20)
InChIKeyVAFBQVYWBHPPMO-UHFFFAOYSA-N
XLogP4.85
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.85
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'}

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Related Compounds

4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63523806
2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 81269066
2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide
CID 107930685
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 115469223
3-(3-methyl-4-propan-2-ylphenoxy)pyridazine-4-carboximidamide
CID 80514301
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 63526218
2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide
CID 107930831
5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarboximidamide
CID 63525016
2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930851
5-chloro-2-(1-phenylethoxy)benzenecarboximidamide
CID 62494768
5-bromo-2-(3-chlorophenoxy)benzenecarboximidamide
CID 114893186
4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 63525014

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide?
The IUPAC name of 5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide (CID 63523635) is 5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1Oc1ccc(C(C)C)c(C)c1.
What is the InChIKey of 5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide?
The InChIKey is VAFBQVYWBHPPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-10(2)14-6-5-13(8-11(14)3)21-16-7-4-12(18)9-15(16)17(19)20/h4-10H,1-3H3,(H3,19,20).
What are the key properties of 5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide?
5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide has a molecular weight of 302.81 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 63523635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).