3-[(4-chlorophenyl)methyl]oxan-4-amine;hydrochloride

C12H17Cl2NO — CID 118991797

IUPAC3-[(4-chlorophenyl)methyl]oxan-4-amine;hydrochloride
SMILESCl.NC1CCOCC1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO.ClH/c13-11-3-1-9(2-4-11)7-10-8-15-6-5-12(10)14;/h1-4,10,12H,5-8,14H2;1H
InChIKeyJOZWWDISALMWKG-UHFFFAOYSA-N
MW262.18 g/mol
LogP2.67
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]oxan-4-amine;hydrochloride

3-[(4-chlorophenyl)methyl]oxan-4-amine;hydrochloride (PubChem CID 118991797) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]oxan-4-amine;hydrochloride.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]oxan-4-amine;hydrochloride
PubChem CID118991797
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name3-[(4-chlorophenyl)methyl]oxan-4-amine;hydrochloride
SMILESCl.NC1CCOCC1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO.ClH/c13-11-3-1-9(2-4-11)7-10-8-15-6-5-12(10)14;/h1-4,10,12H,5-8,14H2;1H
InChIKeyJOZWWDISALMWKG-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(4-chlorophenyl)methyl]oxan-4-amine;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 3-[(4-chlorophenyl)methyl]oxan-4-amine;hydrochloride?
The IUPAC name of 3-[(4-chlorophenyl)methyl]oxan-4-amine;hydrochloride (CID 118991797) is 3-[(4-chlorophenyl)methyl]oxan-4-amine;hydrochloride.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]oxan-4-amine;hydrochloride?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]oxan-4-amine;hydrochloride is Cl.NC1CCOCC1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]oxan-4-amine;hydrochloride?
The InChIKey is JOZWWDISALMWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO.ClH/c13-11-3-1-9(2-4-11)7-10-8-15-6-5-12(10)14;/h1-4,10,12H,5-8,14H2;1H.
What are the key properties of 3-[(4-chlorophenyl)methyl]oxan-4-amine;hydrochloride?
3-[(4-chlorophenyl)methyl]oxan-4-amine;hydrochloride has a molecular weight of 262.18 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]oxan-4-amine;hydrochloride is sourced from PubChem (CID 118991797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).