2-chloro-4-(2-methylbutoxy)benzenecarboximidamide

C12H17ClN2O — CID 102724610

IUPAC2-chloro-4-(2-methylbutoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCC(C)CC)cc1Cl
InChIInChI=1S/C12H17ClN2O/c1-3-8(2)7-16-9-4-5-10(12(14)15)11(13)6-9/h4-6,8H,3,7H2,1-2H3,(H3,14,15)
InChIKeyMIDBADUJTQBEHI-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.05
Rot. Bonds5

About 2-chloro-4-(2-methylbutoxy)benzenecarboximidamide

2-chloro-4-(2-methylbutoxy)benzenecarboximidamide (PubChem CID 102724610) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-chloro-4-(2-methylbutoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-(2-methylbutoxy)benzenecarboximidamide
PubChem CID102724610
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-chloro-4-(2-methylbutoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCC(C)CC)cc1Cl
InChIInChI=1S/C12H17ClN2O/c1-3-8(2)7-16-9-4-5-10(12(14)15)11(13)6-9/h4-6,8H,3,7H2,1-2H3,(H3,14,15)
InChIKeyMIDBADUJTQBEHI-UHFFFAOYSA-N
XLogP3.05
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.05
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 2-chloro-4-(2-methylbutoxy)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

2-chloro-4-hexoxybenzenecarboximidamide
CID 62948385
2-chloro-4-(4-methylpentan-2-yloxy)benzenecarboximidamide
CID 62949045
4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide
CID 102724594
2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide
CID 102724554
(4-carbamimidoyl-3-chlorophenyl) 4-amino-4-oxobutanoate
CID 67721810
2-chloro-4-(2-cyclobutylethoxy)benzenecarboximidamide
CID 106202100
2-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide
CID 102724621
4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide
CID 102724538
2-chloro-4-phenoxybenzenecarboximidamide
CID 62947206
2-chloro-4-(2-methylbutoxy)benzonitrile
CID 102674615
2-chloro-4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]benzenecarboximidamide
CID 102724521
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 63526218

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylbutoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-4-(2-methylbutoxy)benzenecarboximidamide (CID 102724610) is 2-chloro-4-(2-methylbutoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-(2-methylbutoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-4-(2-methylbutoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCC(C)CC)cc1Cl.
What is the InChIKey of 2-chloro-4-(2-methylbutoxy)benzenecarboximidamide?
The InChIKey is MIDBADUJTQBEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-8(2)7-16-9-4-5-10(12(14)15)11(13)6-9/h4-6,8H,3,7H2,1-2H3,(H3,14,15).
What are the key properties of 2-chloro-4-(2-methylbutoxy)benzenecarboximidamide?
2-chloro-4-(2-methylbutoxy)benzenecarboximidamide has a molecular weight of 240.73 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylbutoxy)benzenecarboximidamide is sourced from PubChem (CID 102724610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).