N-methyl-1-[2-(oxan-4-yl)phenyl]methanamine

C13H19NO — CID 83833008

IUPACN-methyl-1-[2-(oxan-4-yl)phenyl]methanamine
SMILESCNCc1ccccc1C1CCOCC1
InChIInChI=1S/C13H19NO/c1-14-10-12-4-2-3-5-13(12)11-6-8-15-9-7-11/h2-5,11,14H,6-10H2,1H3
InChIKeyFJPOYBPHTXKBRT-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.30
Rot. Bonds3

About N-methyl-1-[2-(oxan-4-yl)phenyl]methanamine

N-methyl-1-[2-(oxan-4-yl)phenyl]methanamine (PubChem CID 83833008) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-methyl-1-[2-(oxan-4-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(oxan-4-yl)phenyl]methanamine
PubChem CID83833008
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-methyl-1-[2-(oxan-4-yl)phenyl]methanamine
SMILESCNCc1ccccc1C1CCOCC1
InChIInChI=1S/C13H19NO/c1-14-10-12-4-2-3-5-13(12)11-6-8-15-9-7-11/h2-5,11,14H,6-10H2,1H3
InChIKeyFJPOYBPHTXKBRT-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[2-(oxan-4-yl)phenyl]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-methyl-1-[2-(oxan-4-yl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-(oxan-4-yl)phenyl]methanamine (CID 83833008) is N-methyl-1-[2-(oxan-4-yl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(oxan-4-yl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(oxan-4-yl)phenyl]methanamine is CNCc1ccccc1C1CCOCC1.
What is the InChIKey of N-methyl-1-[2-(oxan-4-yl)phenyl]methanamine?
The InChIKey is FJPOYBPHTXKBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-14-10-12-4-2-3-5-13(12)11-6-8-15-9-7-11/h2-5,11,14H,6-10H2,1H3.
What are the key properties of N-methyl-1-[2-(oxan-4-yl)phenyl]methanamine?
N-methyl-1-[2-(oxan-4-yl)phenyl]methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(oxan-4-yl)phenyl]methanamine is sourced from PubChem (CID 83833008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).