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

C17H19ClN2O — CID 63525014

IUPAC4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C17H19ClN2O/c1-10(2)12-5-4-11(3)15(8-12)21-16-9-13(18)6-7-14(16)17(19)20/h4-10H,1-3H3,(H3,19,20)
InChIKeyIYSLIAILTFEHKS-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.85
Rot. Bonds4

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

4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide (PubChem CID 63525014) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
PubChem CID63525014
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C17H19ClN2O/c1-10(2)12-5-4-11(3)15(8-12)21-16-9-13(18)6-7-14(16)17(19)20/h4-10H,1-3H3,(H3,19,20)
InChIKeyIYSLIAILTFEHKS-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

2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930851
5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 114893289
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63523806
4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide
CID 114323549
2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 79517566
4-chloro-2-propan-2-yloxybenzenecarboximidamide
CID 63094382
4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide
CID 64855794
2-butan-2-yloxy-4-chlorobenzenecarboximidamide
CID 63094735
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
4-chloro-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 63093366
4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 63093186
2-[5-chloro-2-(chloromethyl)phenoxy]-1-methyl-4-propan-2-ylbenzene
CID 114847049

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide?
The IUPAC name of 4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide (CID 63525014) is 4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1Oc1cc(C(C)C)ccc1C.
What is the InChIKey of 4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide?
The InChIKey is IYSLIAILTFEHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-10(2)12-5-4-11(3)15(8-12)21-16-9-13(18)6-7-14(16)17(19)20/h4-10H,1-3H3,(H3,19,20).
What are the key properties of 4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide?
4-chloro-2-(2-methyl-5-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 4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 63525014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).