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

C12H15Cl2NO — CID 7458212

IUPACN-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESClc1cccc(CNC[C@H]2CCCO2)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/t10-/m1/s1
InChIKeyOWBZUMFNTRZPAU-SNVBAGLBSA-N
MW260.16 g/mol
LogP3.26
Rot. Bonds4

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

N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine (PubChem CID 7458212) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
PubChem CID7458212
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESClc1cccc(CNC[C@H]2CCCO2)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/t10-/m1/s1
InChIKeyOWBZUMFNTRZPAU-SNVBAGLBSA-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-[(2R)-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

Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 834224
N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920110
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 35698346
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 27137747
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 112554056
1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine
CID 55061002
1-(oxolan-2-yl)-N-(quinoxalin-5-ylmethyl)methanamine
CID 104614221
2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55093100
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
2-[(oxolan-2-ylmethylamino)methyl]benzene-1,3-diol
CID 45093757

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine (CID 7458212) is N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine is Clc1cccc(CNC[C@H]2CCCO2)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The InChIKey is OWBZUMFNTRZPAU-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-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-[(2R)-oxolan-2-yl]methanamine is sourced from PubChem (CID 7458212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).