2-(oxan-4-yl)-N-[(2-phenylphenyl)methyl]ethanamine

C20H25NO — CID 69060071

IUPAC2-(oxan-4-yl)-N-[(2-phenylphenyl)methyl]ethanamine
SMILESc1ccc(-c2ccccc2CNCCC2CCOCC2)cc1
InChIInChI=1S/C20H25NO/c1-2-6-18(7-3-1)20-9-5-4-8-19(20)16-21-13-10-17-11-14-22-15-12-17/h1-9,17,21H,10-16H2
InChIKeyUPUVUDVUVRGIFZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.26
Rot. Bonds6

About 2-(oxan-4-yl)-N-[(2-phenylphenyl)methyl]ethanamine

2-(oxan-4-yl)-N-[(2-phenylphenyl)methyl]ethanamine (PubChem CID 69060071) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(oxan-4-yl)-N-[(2-phenylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(oxan-4-yl)-N-[(2-phenylphenyl)methyl]ethanamine
PubChem CID69060071
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-(oxan-4-yl)-N-[(2-phenylphenyl)methyl]ethanamine
SMILESc1ccc(-c2ccccc2CNCCC2CCOCC2)cc1
InChIInChI=1S/C20H25NO/c1-2-6-18(7-3-1)20-9-5-4-8-19(20)16-21-13-10-17-11-14-22-15-12-17/h1-9,17,21H,10-16H2
InChIKeyUPUVUDVUVRGIFZ-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-N-[(2-phenylphenyl)methyl]ethanamine?
The IUPAC name of 2-(oxan-4-yl)-N-[(2-phenylphenyl)methyl]ethanamine (CID 69060071) is 2-(oxan-4-yl)-N-[(2-phenylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(oxan-4-yl)-N-[(2-phenylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(oxan-4-yl)-N-[(2-phenylphenyl)methyl]ethanamine is c1ccc(-c2ccccc2CNCCC2CCOCC2)cc1.
What is the InChIKey of 2-(oxan-4-yl)-N-[(2-phenylphenyl)methyl]ethanamine?
The InChIKey is UPUVUDVUVRGIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-2-6-18(7-3-1)20-9-5-4-8-19(20)16-21-13-10-17-11-14-22-15-12-17/h1-9,17,21H,10-16H2.
What are the key properties of 2-(oxan-4-yl)-N-[(2-phenylphenyl)methyl]ethanamine?
2-(oxan-4-yl)-N-[(2-phenylphenyl)methyl]ethanamine has a molecular weight of 295.43 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-N-[(2-phenylphenyl)methyl]ethanamine is sourced from PubChem (CID 69060071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).