2-chloro-4-(2-cyclobutylethoxy)benzenecarboximidamide

C13H17ClN2O — CID 106202100

IUPAC2-chloro-4-(2-cyclobutylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCC2CCC2)cc1Cl
InChIInChI=1S/C13H17ClN2O/c14-12-8-10(4-5-11(12)13(15)16)17-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7H2,(H3,15,16)
InChIKeyMFLFTNBMBXYVSI-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.19
Rot. Bonds5

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

2-chloro-4-(2-cyclobutylethoxy)benzenecarboximidamide (PubChem CID 106202100) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-chloro-4-(2-cyclobutylethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-(2-cyclobutylethoxy)benzenecarboximidamide
PubChem CID106202100
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-chloro-4-(2-cyclobutylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCC2CCC2)cc1Cl
InChIInChI=1S/C13H17ClN2O/c14-12-8-10(4-5-11(12)13(15)16)17-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7H2,(H3,15,16)
InChIKeyMFLFTNBMBXYVSI-UHFFFAOYSA-N
XLogP3.19
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.19
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

4-(2-cyclopropylethoxy)-2-methylbenzenecarboximidamide
CID 106202035
2-chloro-4-cycloheptyloxybenzenecarboximidamide
CID 55154723
4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide
CID 102724594
2-chloro-4-hexoxybenzenecarboximidamide
CID 62948385
3-(2-cyclobutylethoxy)pyridazine-4-carboximidamide
CID 106202085
2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 62948386
2-chloro-4-(2-methylbutoxy)benzenecarboximidamide
CID 102724610
2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 55154725
3-chloro-4-(2-cyclobutylethoxymethyl)benzenecarboximidamide
CID 106202147
4-[2-(3,4-dichlorophenoxy)ethoxy]benzenecarboximidamide
CID 61301174
4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide
CID 102724538
2-chloro-4-phenoxybenzenecarboximidamide
CID 62947206

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-cyclobutylethoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-4-(2-cyclobutylethoxy)benzenecarboximidamide (CID 106202100) is 2-chloro-4-(2-cyclobutylethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-(2-cyclobutylethoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-4-(2-cyclobutylethoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCC2CCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(2-cyclobutylethoxy)benzenecarboximidamide?
The InChIKey is MFLFTNBMBXYVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-12-8-10(4-5-11(12)13(15)16)17-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7H2,(H3,15,16).
What are the key properties of 2-chloro-4-(2-cyclobutylethoxy)benzenecarboximidamide?
2-chloro-4-(2-cyclobutylethoxy)benzenecarboximidamide has a molecular weight of 252.74 g/mol, XLogP of 3.19, 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-cyclobutylethoxy)benzenecarboximidamide is sourced from PubChem (CID 106202100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).