N-[(3,5-dichloro-4-pyridinyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine

C13H18Cl2N2O — CID 77096940

IUPACN-[(3,5-dichloro-4-pyridinyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
SMILESCN(Cc1c(Cl)cncc1Cl)CC1CCOCC1
InChIInChI=1S/C13H18Cl2N2O/c1-17(8-10-2-4-18-5-3-10)9-11-12(14)6-16-7-13(11)15/h6-7,10H,2-5,8-9H2,1H3
InChIKeyMUAYOXXJCVHFCP-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.25
Rot. Bonds4

About N-[(3,5-dichloro-4-pyridinyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine

N-[(3,5-dichloro-4-pyridinyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 77096940) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-pyridinyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-pyridinyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID77096940
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC NameN-[(3,5-dichloro-4-pyridinyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
SMILESCN(Cc1c(Cl)cncc1Cl)CC1CCOCC1
InChIInChI=1S/C13H18Cl2N2O/c1-17(8-10-2-4-18-5-3-10)9-11-12(14)6-16-7-13(11)15/h6-7,10H,2-5,8-9H2,1H3
InChIKeyMUAYOXXJCVHFCP-UHFFFAOYSA-N
XLogP3.25
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dichloro-4-pyridinyl)methyl]-N-methyl-1-(oxan-4-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-[(3,5-dichloro-4-pyridinyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(3,5-dichloro-4-pyridinyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine (CID 77096940) is N-[(3,5-dichloro-4-pyridinyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(3,5-dichloro-4-pyridinyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(3,5-dichloro-4-pyridinyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine is CN(Cc1c(Cl)cncc1Cl)CC1CCOCC1.
What is the InChIKey of N-[(3,5-dichloro-4-pyridinyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is MUAYOXXJCVHFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-17(8-10-2-4-18-5-3-10)9-11-12(14)6-16-7-13(11)15/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of N-[(3,5-dichloro-4-pyridinyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine?
N-[(3,5-dichloro-4-pyridinyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 289.21 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-4-pyridinyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 77096940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).