1-phenylmethoxypyrrolidin-2-imine;hydrochloride

C11H15ClN2O — CID 67148169

IUPAC1-phenylmethoxypyrrolidin-2-imine;hydrochloride
SMILESCl.[H]/N=C1\CCCN1OCc1ccccc1
InChIInChI=1S/C11H14N2O.ClH/c12-11-7-4-8-13(11)14-9-10-5-2-1-3-6-10;/h1-3,5-6,12H,4,7-9H2;1H/b12-11+;
InChIKeyMQVZCGRDGIEVAS-CALJPSDSSA-N
MW226.71 g/mol
LogP2.61
Rot. Bonds3

About 1-phenylmethoxypyrrolidin-2-imine;hydrochloride

1-phenylmethoxypyrrolidin-2-imine;hydrochloride (PubChem CID 67148169) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-phenylmethoxypyrrolidin-2-imine;hydrochloride.

Molecular Properties

Compound Name1-phenylmethoxypyrrolidin-2-imine;hydrochloride
PubChem CID67148169
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-phenylmethoxypyrrolidin-2-imine;hydrochloride
SMILESCl.[H]/N=C1\CCCN1OCc1ccccc1
InChIInChI=1S/C11H14N2O.ClH/c12-11-7-4-8-13(11)14-9-10-5-2-1-3-6-10;/h1-3,5-6,12H,4,7-9H2;1H/b12-11+;
InChIKeyMQVZCGRDGIEVAS-CALJPSDSSA-N
XLogP2.61
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxypyrrolidin-2-imine;hydrochloride?
The IUPAC name of 1-phenylmethoxypyrrolidin-2-imine;hydrochloride (CID 67148169) is 1-phenylmethoxypyrrolidin-2-imine;hydrochloride.
What is the SMILES notation for 1-phenylmethoxypyrrolidin-2-imine;hydrochloride?
The canonical SMILES for 1-phenylmethoxypyrrolidin-2-imine;hydrochloride is Cl.[H]/N=C1\CCCN1OCc1ccccc1.
What is the InChIKey of 1-phenylmethoxypyrrolidin-2-imine;hydrochloride?
The InChIKey is MQVZCGRDGIEVAS-CALJPSDSSA-N. The full InChI is InChI=1S/C11H14N2O.ClH/c12-11-7-4-8-13(11)14-9-10-5-2-1-3-6-10;/h1-3,5-6,12H,4,7-9H2;1H/b12-11+;.
What are the key properties of 1-phenylmethoxypyrrolidin-2-imine;hydrochloride?
1-phenylmethoxypyrrolidin-2-imine;hydrochloride has a molecular weight of 226.71 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxypyrrolidin-2-imine;hydrochloride is sourced from PubChem (CID 67148169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).