2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide

C17H19ClN2O — CID 63523810

IUPAC2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H19ClN2O/c1-17(2,3)11-4-7-13(8-5-11)21-15-10-12(18)6-9-14(15)16(19)20/h4-10H,1-3H3,(H3,19,20)
InChIKeyAQRSPIBPRXAVFP-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.71
Rot. Bonds3

About 2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide

2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide (PubChem CID 63523810) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide
PubChem CID63523810
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H19ClN2O/c1-17(2,3)11-4-7-13(8-5-11)21-15-10-12(18)6-9-14(15)16(19)20/h4-10H,1-3H3,(H3,19,20)
InChIKeyAQRSPIBPRXAVFP-UHFFFAOYSA-N
XLogP4.71
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.71
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-(4-methoxyphenoxy)benzenecarboximidamide
CID 63093186
4-chloro-2-(3,5-dimethoxyphenoxy)benzenecarboximidamide
CID 63094563
4-chloro-2-(4-propylphenoxy)benzenecarboximidamide
CID 63524864
4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 55257647
2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide
CID 107930737
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63523806
4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide
CID 63094214
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
2-(2,4-dichlorophenoxy)-4-methoxybenzenecarboximidamide
CID 81302946
4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide
CID 64855794
4-chloro-2-propan-2-yloxybenzenecarboximidamide
CID 63094382

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide (CID 63523810) is 2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide?
The InChIKey is AQRSPIBPRXAVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-17(2,3)11-4-7-13(8-5-11)21-15-10-12(18)6-9-14(15)16(19)20/h4-10H,1-3H3,(H3,19,20).
What are the key properties of 2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide?
2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide has a molecular weight of 302.81 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide is sourced from PubChem (CID 63523810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).