2-(oxan-4-yl)-1-phenylethanamine

C13H19NO — CID 62601067

IUPAC2-(oxan-4-yl)-1-phenylethanamine
SMILESNC(CC1CCOCC1)c1ccccc1
InChIInChI=1S/C13H19NO/c14-13(12-4-2-1-3-5-12)10-11-6-8-15-9-7-11/h1-5,11,13H,6-10,14H2
InChIKeyYVOLKFVPQYVOOC-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.50
Rot. Bonds3

About 2-(oxan-4-yl)-1-phenylethanamine

2-(oxan-4-yl)-1-phenylethanamine (PubChem CID 62601067) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-phenylethanamine
PubChem CID62601067
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(oxan-4-yl)-1-phenylethanamine
SMILESNC(CC1CCOCC1)c1ccccc1
InChIInChI=1S/C13H19NO/c14-13(12-4-2-1-3-5-12)10-11-6-8-15-9-7-11/h1-5,11,13H,6-10,14H2
InChIKeyYVOLKFVPQYVOOC-UHFFFAOYSA-N
XLogP2.50
TPSA35.25 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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-phenylethanamine?
The IUPAC name of 2-(oxan-4-yl)-1-phenylethanamine (CID 62601067) is 2-(oxan-4-yl)-1-phenylethanamine.
What is the SMILES notation for 2-(oxan-4-yl)-1-phenylethanamine?
The canonical SMILES for 2-(oxan-4-yl)-1-phenylethanamine is NC(CC1CCOCC1)c1ccccc1.
What is the InChIKey of 2-(oxan-4-yl)-1-phenylethanamine?
The InChIKey is YVOLKFVPQYVOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c14-13(12-4-2-1-3-5-12)10-11-6-8-15-9-7-11/h1-5,11,13H,6-10,14H2.
What are the key properties of 2-(oxan-4-yl)-1-phenylethanamine?
2-(oxan-4-yl)-1-phenylethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-phenylethanamine is sourced from PubChem (CID 62601067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).