1-[3-(oxan-4-yl)phenyl]propan-2-amine

C14H21NO — CID 117313397

IUPAC1-[3-(oxan-4-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(C2CCOCC2)c1
InChIInChI=1S/C14H21NO/c1-11(15)9-12-3-2-4-14(10-12)13-5-7-16-8-6-13/h2-4,10-11,13H,5-9,15H2,1H3
InChIKeyZSTCRCZPEHJPKR-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.47
Rot. Bonds3

About 1-[3-(oxan-4-yl)phenyl]propan-2-amine

1-[3-(oxan-4-yl)phenyl]propan-2-amine (PubChem CID 117313397) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[3-(oxan-4-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(oxan-4-yl)phenyl]propan-2-amine
PubChem CID117313397
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[3-(oxan-4-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(C2CCOCC2)c1
InChIInChI=1S/C14H21NO/c1-11(15)9-12-3-2-4-14(10-12)13-5-7-16-8-6-13/h2-4,10-11,13H,5-9,15H2,1H3
InChIKeyZSTCRCZPEHJPKR-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxan-4-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[3-(oxan-4-yl)phenyl]propan-2-amine (CID 117313397) is 1-[3-(oxan-4-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(oxan-4-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(oxan-4-yl)phenyl]propan-2-amine is CC(N)Cc1cccc(C2CCOCC2)c1.
What is the InChIKey of 1-[3-(oxan-4-yl)phenyl]propan-2-amine?
The InChIKey is ZSTCRCZPEHJPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(15)9-12-3-2-4-14(10-12)13-5-7-16-8-6-13/h2-4,10-11,13H,5-9,15H2,1H3.
What are the key properties of 1-[3-(oxan-4-yl)phenyl]propan-2-amine?
1-[3-(oxan-4-yl)phenyl]propan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxan-4-yl)phenyl]propan-2-amine is sourced from PubChem (CID 117313397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).