1-(oxan-3-yl)-1-phenylbutan-1-amine

C15H23NO — CID 107135814

IUPAC1-(oxan-3-yl)-1-phenylbutan-1-amine
SMILESCCCC(N)(c1ccccc1)C1CCCOC1
InChIInChI=1S/C15H23NO/c1-2-10-15(16,13-7-4-3-5-8-13)14-9-6-11-17-12-14/h3-5,7-8,14H,2,6,9-12,16H2,1H3
InChIKeyHJXWXQHHRDQHQA-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.07
Rot. Bonds4

About 1-(oxan-3-yl)-1-phenylbutan-1-amine

1-(oxan-3-yl)-1-phenylbutan-1-amine (PubChem CID 107135814) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(oxan-3-yl)-1-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(oxan-3-yl)-1-phenylbutan-1-amine
PubChem CID107135814
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(oxan-3-yl)-1-phenylbutan-1-amine
SMILESCCCC(N)(c1ccccc1)C1CCCOC1
InChIInChI=1S/C15H23NO/c1-2-10-15(16,13-7-4-3-5-8-13)14-9-6-11-17-12-14/h3-5,7-8,14H,2,6,9-12,16H2,1H3
InChIKeyHJXWXQHHRDQHQA-UHFFFAOYSA-N
XLogP3.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-1-phenylbutan-1-amine?
The IUPAC name of 1-(oxan-3-yl)-1-phenylbutan-1-amine (CID 107135814) is 1-(oxan-3-yl)-1-phenylbutan-1-amine.
What is the SMILES notation for 1-(oxan-3-yl)-1-phenylbutan-1-amine?
The canonical SMILES for 1-(oxan-3-yl)-1-phenylbutan-1-amine is CCCC(N)(c1ccccc1)C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)-1-phenylbutan-1-amine?
The InChIKey is HJXWXQHHRDQHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-10-15(16,13-7-4-3-5-8-13)14-9-6-11-17-12-14/h3-5,7-8,14H,2,6,9-12,16H2,1H3.
What are the key properties of 1-(oxan-3-yl)-1-phenylbutan-1-amine?
1-(oxan-3-yl)-1-phenylbutan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-1-phenylbutan-1-amine is sourced from PubChem (CID 107135814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).