2-chloro-4-(4-methylpentan-2-yloxy)benzenecarboximidamide

C13H19ClN2O — CID 62949045

IUPAC2-chloro-4-(4-methylpentan-2-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC(C)CC(C)C)cc1Cl
InChIInChI=1S/C13H19ClN2O/c1-8(2)6-9(3)17-10-4-5-11(13(15)16)12(14)7-10/h4-5,7-9H,6H2,1-3H3,(H3,15,16)
InChIKeyRJGNBNVEGWCFOA-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.44
Rot. Bonds5

About 2-chloro-4-(4-methylpentan-2-yloxy)benzenecarboximidamide

2-chloro-4-(4-methylpentan-2-yloxy)benzenecarboximidamide (PubChem CID 62949045) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-4-(4-methylpentan-2-yloxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-(4-methylpentan-2-yloxy)benzenecarboximidamide
PubChem CID62949045
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-chloro-4-(4-methylpentan-2-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC(C)CC(C)C)cc1Cl
InChIInChI=1S/C13H19ClN2O/c1-8(2)6-9(3)17-10-4-5-11(13(15)16)12(14)7-10/h4-5,7-9H,6H2,1-3H3,(H3,15,16)
InChIKeyRJGNBNVEGWCFOA-UHFFFAOYSA-N
XLogP3.44
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.44
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-chloro-4-(2-methylbutoxy)benzenecarboximidamide
CID 102724610
(4-carbamimidoyl-3-chlorophenyl) 4-amino-4-oxobutanoate
CID 67721810
2-chloro-4-hexoxybenzenecarboximidamide
CID 62948385
2-chloro-4-phenoxybenzenecarboximidamide
CID 62947206
ethyl 2-chloro-4-propan-2-yloxybenzoate
CID 82551782
4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide
CID 55152073
4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide
CID 102724594
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 63526218
2-amino-5-(4-methylpentan-2-yloxy)benzamide
CID 55139339
4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide
CID 83140790
2-chloro-4-(propan-2-ylamino)benzenecarboximidamide
CID 62946876
2-chloro-4-cycloheptyloxybenzenecarboximidamide
CID 55154723

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methylpentan-2-yloxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-4-(4-methylpentan-2-yloxy)benzenecarboximidamide (CID 62949045) is 2-chloro-4-(4-methylpentan-2-yloxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-(4-methylpentan-2-yloxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-4-(4-methylpentan-2-yloxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OC(C)CC(C)C)cc1Cl.
What is the InChIKey of 2-chloro-4-(4-methylpentan-2-yloxy)benzenecarboximidamide?
The InChIKey is RJGNBNVEGWCFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-8(2)6-9(3)17-10-4-5-11(13(15)16)12(14)7-10/h4-5,7-9H,6H2,1-3H3,(H3,15,16).
What are the key properties of 2-chloro-4-(4-methylpentan-2-yloxy)benzenecarboximidamide?
2-chloro-4-(4-methylpentan-2-yloxy)benzenecarboximidamide has a molecular weight of 254.76 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methylpentan-2-yloxy)benzenecarboximidamide is sourced from PubChem (CID 62949045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).