N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine

C12H15Cl2NO — CID 5109426

IUPACN-[(2,3-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESClc1cccc(CNCC2CCCO2)c1Cl
InChIInChI=1S/C12H15Cl2NO/c13-11-5-1-3-9(12(11)14)7-15-8-10-4-2-6-16-10/h1,3,5,10,15H,2,4,6-8H2
InChIKeyOWBZUMFNTRZPAU-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.26
Rot. Bonds4

About N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine

N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 5109426) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID5109426
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESClc1cccc(CNCC2CCCO2)c1Cl
InChIInChI=1S/C12H15Cl2NO/c13-11-5-1-3-9(12(11)14)7-15-8-10-4-2-6-16-10/h1,3,5,10,15H,2,4,6-8H2
InChIKeyOWBZUMFNTRZPAU-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine 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 N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine (CID 5109426) is N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine is Clc1cccc(CNCC2CCCO2)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is OWBZUMFNTRZPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-11-5-1-3-9(12(11)14)7-15-8-10-4-2-6-16-10/h1,3,5,10,15H,2,4,6-8H2.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 260.16 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 5109426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).