3-(oxan-4-yl)-2-propylaniline

C14H21NO — CID 156732824

IUPAC3-(oxan-4-yl)-2-propylaniline
SMILESCCCc1c(N)cccc1C1CCOCC1
InChIInChI=1S/C14H21NO/c1-2-4-13-12(5-3-6-14(13)15)11-7-9-16-10-8-11/h3,5-6,11H,2,4,7-10,15H2,1H3
InChIKeyMPIYAAYJTZCDEC-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.12
Rot. Bonds3

About 3-(oxan-4-yl)-2-propylaniline

3-(oxan-4-yl)-2-propylaniline (PubChem CID 156732824) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(oxan-4-yl)-2-propylaniline.

Molecular Properties

Compound Name3-(oxan-4-yl)-2-propylaniline
PubChem CID156732824
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(oxan-4-yl)-2-propylaniline
SMILESCCCc1c(N)cccc1C1CCOCC1
InChIInChI=1S/C14H21NO/c1-2-4-13-12(5-3-6-14(13)15)11-7-9-16-10-8-11/h3,5-6,11H,2,4,7-10,15H2,1H3
InChIKeyMPIYAAYJTZCDEC-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-2-propylaniline?
The IUPAC name of 3-(oxan-4-yl)-2-propylaniline (CID 156732824) is 3-(oxan-4-yl)-2-propylaniline.
What is the SMILES notation for 3-(oxan-4-yl)-2-propylaniline?
The canonical SMILES for 3-(oxan-4-yl)-2-propylaniline is CCCc1c(N)cccc1C1CCOCC1.
What is the InChIKey of 3-(oxan-4-yl)-2-propylaniline?
The InChIKey is MPIYAAYJTZCDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-4-13-12(5-3-6-14(13)15)11-7-9-16-10-8-11/h3,5-6,11H,2,4,7-10,15H2,1H3.
What are the key properties of 3-(oxan-4-yl)-2-propylaniline?
3-(oxan-4-yl)-2-propylaniline has a molecular weight of 219.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-2-propylaniline is sourced from PubChem (CID 156732824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).