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

C17H19ClN2O — CID 63526218

IUPAC2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(C)ccc2C(C)C)cc1Cl
InChIInChI=1S/C17H19ClN2O/c1-10(2)13-6-4-11(3)8-16(13)21-12-5-7-14(17(19)20)15(18)9-12/h4-10H,1-3H3,(H3,19,20)
InChIKeyDQOKJRLMQKTRGE-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.85
Rot. Bonds4

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

2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide (PubChem CID 63526218) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
PubChem CID63526218
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(C)ccc2C(C)C)cc1Cl
InChIInChI=1S/C17H19ClN2O/c1-10(2)13-6-4-11(3)8-16(13)21-12-5-7-14(17(19)20)15(18)9-12/h4-10H,1-3H3,(H3,19,20)
InChIKeyDQOKJRLMQKTRGE-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-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 81269066
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarbothioamide
CID 63518585
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid
CID 63515238
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63523806
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63523635
2-(3-chloro-4-nitrophenoxy)-4-methylbenzenecarboximidamide
CID 62307325
4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide
CID 62308166
2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide
CID 107930831
2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide
CID 62307304
4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide
CID 83140790
2-chloro-4-phenoxybenzenecarboximidamide
CID 62947206

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide (CID 63526218) is 2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cc(C)ccc2C(C)C)cc1Cl.
What is the InChIKey of 2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide?
The InChIKey is DQOKJRLMQKTRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-10(2)13-6-4-11(3)8-16(13)21-12-5-7-14(17(19)20)15(18)9-12/h4-10H,1-3H3,(H3,19,20).
What are the key properties of 2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide?
2-chloro-4-(5-methyl-2-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 2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 63526218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).