oxolan-3-yl(phenyl)methanamine;hydrochloride

C11H16ClNO — CID 71757937

IUPACoxolan-3-yl(phenyl)methanamine;hydrochloride
SMILESCl.NC(c1ccccc1)C1CCOC1
InChIInChI=1S/C11H15NO.ClH/c12-11(10-6-7-13-8-10)9-4-2-1-3-5-9;/h1-5,10-11H,6-8,12H2;1H
InChIKeyMZMAOXHRLHULKZ-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.14
Rot. Bonds2

About oxolan-3-yl(phenyl)methanamine;hydrochloride

oxolan-3-yl(phenyl)methanamine;hydrochloride (PubChem CID 71757937) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is oxolan-3-yl(phenyl)methanamine;hydrochloride.

Molecular Properties

Compound Nameoxolan-3-yl(phenyl)methanamine;hydrochloride
PubChem CID71757937
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Nameoxolan-3-yl(phenyl)methanamine;hydrochloride
SMILESCl.NC(c1ccccc1)C1CCOC1
InChIInChI=1S/C11H15NO.ClH/c12-11(10-6-7-13-8-10)9-4-2-1-3-5-9;/h1-5,10-11H,6-8,12H2;1H
InChIKeyMZMAOXHRLHULKZ-UHFFFAOYSA-N
XLogP2.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze oxolan-3-yl(phenyl)methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl(phenyl)methanamine;hydrochloride?
The IUPAC name of oxolan-3-yl(phenyl)methanamine;hydrochloride (CID 71757937) is oxolan-3-yl(phenyl)methanamine;hydrochloride.
What is the SMILES notation for oxolan-3-yl(phenyl)methanamine;hydrochloride?
The canonical SMILES for oxolan-3-yl(phenyl)methanamine;hydrochloride is Cl.NC(c1ccccc1)C1CCOC1.
What is the InChIKey of oxolan-3-yl(phenyl)methanamine;hydrochloride?
The InChIKey is MZMAOXHRLHULKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c12-11(10-6-7-13-8-10)9-4-2-1-3-5-9;/h1-5,10-11H,6-8,12H2;1H.
What are the key properties of oxolan-3-yl(phenyl)methanamine;hydrochloride?
oxolan-3-yl(phenyl)methanamine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl(phenyl)methanamine;hydrochloride is sourced from PubChem (CID 71757937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).