2-[4-(cyclobutylmethoxy)phenyl]ethanimidamide

C13H18N2O — CID 65458060

IUPAC2-[4-(cyclobutylmethoxy)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(OCC2CCC2)cc1
InChIInChI=1S/C13H18N2O/c14-13(15)8-10-4-6-12(7-5-10)16-9-11-2-1-3-11/h4-7,11H,1-3,8-9H2,(H3,14,15)
InChIKeyNXTUDRVESIYDGQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.34
Rot. Bonds5

About 2-[4-(cyclobutylmethoxy)phenyl]ethanimidamide

2-[4-(cyclobutylmethoxy)phenyl]ethanimidamide (PubChem CID 65458060) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[4-(cyclobutylmethoxy)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-[4-(cyclobutylmethoxy)phenyl]ethanimidamide
PubChem CID65458060
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[4-(cyclobutylmethoxy)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(OCC2CCC2)cc1
InChIInChI=1S/C13H18N2O/c14-13(15)8-10-4-6-12(7-5-10)16-9-11-2-1-3-11/h4-7,11H,1-3,8-9H2,(H3,14,15)
InChIKeyNXTUDRVESIYDGQ-UHFFFAOYSA-N
XLogP2.34
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.34
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-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
3-(cyclobutylmethoxy)benzenecarboximidamide
CID 42656936
1-(2-bromoethyl)-4-(cyclobutylmethoxy)benzene
CID 121494002
2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide
CID 43646216
1-(bromomethyl)-4-(cyclopentylmethoxy)benzene
CID 61343018
2-[4-(cyclohexylmethoxy)phenyl]ethanol
CID 113369507
4-(cyclobutylmethoxy)benzenethiol
CID 97179596
2-[4-[(2-bromophenyl)methoxy]phenyl]ethanimidamide
CID 24709746
1-(cyclohexylmethoxy)-4-ethylbenzene
CID 58865018
(4-ethylphenoxy)methylcycloheptane
CID 142027305
2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide
CID 106453253
3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide
CID 103567631

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutylmethoxy)phenyl]ethanimidamide?
The IUPAC name of 2-[4-(cyclobutylmethoxy)phenyl]ethanimidamide (CID 65458060) is 2-[4-(cyclobutylmethoxy)phenyl]ethanimidamide.
What is the SMILES notation for 2-[4-(cyclobutylmethoxy)phenyl]ethanimidamide?
The canonical SMILES for 2-[4-(cyclobutylmethoxy)phenyl]ethanimidamide is [H]/N=C(\N)Cc1ccc(OCC2CCC2)cc1.
What is the InChIKey of 2-[4-(cyclobutylmethoxy)phenyl]ethanimidamide?
The InChIKey is NXTUDRVESIYDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-13(15)8-10-4-6-12(7-5-10)16-9-11-2-1-3-11/h4-7,11H,1-3,8-9H2,(H3,14,15).
What are the key properties of 2-[4-(cyclobutylmethoxy)phenyl]ethanimidamide?
2-[4-(cyclobutylmethoxy)phenyl]ethanimidamide has a molecular weight of 218.30 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutylmethoxy)phenyl]ethanimidamide is sourced from PubChem (CID 65458060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).