3-phenylmethoxycyclobutane-1-carboximidamide;hydrochloride

C12H17ClN2O — CID 126619101

IUPAC3-phenylmethoxycyclobutane-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C1CC(OCc2ccccc2)C1
InChIInChI=1S/C12H16N2O.ClH/c13-12(14)10-6-11(7-10)15-8-9-4-2-1-3-5-9;/h1-5,10-11H,6-8H2,(H3,13,14);1H
InChIKeyZOWBYEYIIKWBCS-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.34
Rot. Bonds4

About 3-phenylmethoxycyclobutane-1-carboximidamide;hydrochloride

3-phenylmethoxycyclobutane-1-carboximidamide;hydrochloride (PubChem CID 126619101) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-phenylmethoxycyclobutane-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name3-phenylmethoxycyclobutane-1-carboximidamide;hydrochloride
PubChem CID126619101
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-phenylmethoxycyclobutane-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C1CC(OCc2ccccc2)C1
InChIInChI=1S/C12H16N2O.ClH/c13-12(14)10-6-11(7-10)15-8-9-4-2-1-3-5-9;/h1-5,10-11H,6-8H2,(H3,13,14);1H
InChIKeyZOWBYEYIIKWBCS-UHFFFAOYSA-N
XLogP2.34
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
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

3-phenylmethoxycyclobutane-1-carboxamide
CID 121012391
3-ethoxycyclobutane-1-carboximidamide;hydrochloride
CID 105437788
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
2,4-bis(phenylmethoxy)cyclopentan-1-ol
CID 57200651
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
(1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol
CID 67957108
(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate
CID 141325822
1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride
CID 69471607
(1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 91005929
(1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride
CID 121282495
benzyl (3R)-3-phenylmethoxycyclohexane-1-carboxylate
CID 59011020

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxycyclobutane-1-carboximidamide;hydrochloride?
The IUPAC name of 3-phenylmethoxycyclobutane-1-carboximidamide;hydrochloride (CID 126619101) is 3-phenylmethoxycyclobutane-1-carboximidamide;hydrochloride.
What is the SMILES notation for 3-phenylmethoxycyclobutane-1-carboximidamide;hydrochloride?
The canonical SMILES for 3-phenylmethoxycyclobutane-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)C1CC(OCc2ccccc2)C1.
What is the InChIKey of 3-phenylmethoxycyclobutane-1-carboximidamide;hydrochloride?
The InChIKey is ZOWBYEYIIKWBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c13-12(14)10-6-11(7-10)15-8-9-4-2-1-3-5-9;/h1-5,10-11H,6-8H2,(H3,13,14);1H.
What are the key properties of 3-phenylmethoxycyclobutane-1-carboximidamide;hydrochloride?
3-phenylmethoxycyclobutane-1-carboximidamide;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxycyclobutane-1-carboximidamide;hydrochloride is sourced from PubChem (CID 126619101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).