N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine

C15H23NO — CID 64681355

IUPACN-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine
SMILESCCc1ccccc1CNC1CCOC(C)C1
InChIInChI=1S/C15H23NO/c1-3-13-6-4-5-7-14(13)11-16-15-8-9-17-12(2)10-15/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyOACZBEXLTCWEGI-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.91
Rot. Bonds4

About N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine

N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine (PubChem CID 64681355) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine
PubChem CID64681355
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine
SMILESCCc1ccccc1CNC1CCOC(C)C1
InChIInChI=1S/C15H23NO/c1-3-13-6-4-5-7-14(13)11-16-15-8-9-17-12(2)10-15/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyOACZBEXLTCWEGI-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine 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-ethylphenyl)methyl]-2-methyloxan-4-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine (CID 64681355) is N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine is CCc1ccccc1CNC1CCOC(C)C1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine?
The InChIKey is OACZBEXLTCWEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-13-6-4-5-7-14(13)11-16-15-8-9-17-12(2)10-15/h4-7,12,15-16H,3,8-11H2,1-2H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine?
N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine has a molecular weight of 233.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine is sourced from PubChem (CID 64681355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).