4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide

C17H19ClN2O — CID 114323549

IUPAC4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OCc1ccc(C(C)C)cc1
InChIInChI=1S/C17H19ClN2O/c1-11(2)13-5-3-12(4-6-13)10-21-16-9-14(18)7-8-15(16)17(19)20/h3-9,11H,10H2,1-2H3,(H3,19,20)
InChIKeyPQBVUWIZBQWWCL-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.33
Rot. Bonds5

About 4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide

4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide (PubChem CID 114323549) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide
PubChem CID114323549
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OCc1ccc(C(C)C)cc1
InChIInChI=1S/C17H19ClN2O/c1-11(2)13-5-3-12(4-6-13)10-21-16-9-14(18)7-8-15(16)17(19)20/h3-9,11H,10H2,1-2H3,(H3,19,20)
InChIKeyPQBVUWIZBQWWCL-UHFFFAOYSA-N
XLogP4.33
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.33
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 4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide 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

4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032
4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 113277412
4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 63092175
2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarboximidamide
CID 63094208
4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 63525014
4-chloro-2-propan-2-yloxybenzenecarboximidamide
CID 63094382
4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323553
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630
4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 81300051
2-butan-2-yloxy-4-chlorobenzenecarboximidamide
CID 63094735
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide
CID 114323640

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide (CID 114323549) is 4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1OCc1ccc(C(C)C)cc1.
What is the InChIKey of 4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide?
The InChIKey is PQBVUWIZBQWWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11(2)13-5-3-12(4-6-13)10-21-16-9-14(18)7-8-15(16)17(19)20/h3-9,11H,10H2,1-2H3,(H3,19,20).
What are the key properties of 4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide?
4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide has a molecular weight of 302.81 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 114323549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).