3-(3,6-dihydro-2H-pyran-4-yl)-2-ethylaniline

C13H17NO — CID 156732817

IUPAC3-(3,6-dihydro-2H-pyran-4-yl)-2-ethylaniline
SMILESCCc1c(N)cccc1C1=CCOCC1
InChIInChI=1S/C13H17NO/c1-2-11-12(4-3-5-13(11)14)10-6-8-15-9-7-10/h3-6H,2,7-9,14H2,1H3
InChIKeyIWBVETCACDHPEQ-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.63
Rot. Bonds2

About 3-(3,6-dihydro-2H-pyran-4-yl)-2-ethylaniline

3-(3,6-dihydro-2H-pyran-4-yl)-2-ethylaniline (PubChem CID 156732817) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyran-4-yl)-2-ethylaniline.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyran-4-yl)-2-ethylaniline
PubChem CID156732817
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-(3,6-dihydro-2H-pyran-4-yl)-2-ethylaniline
SMILESCCc1c(N)cccc1C1=CCOCC1
InChIInChI=1S/C13H17NO/c1-2-11-12(4-3-5-13(11)14)10-6-8-15-9-7-10/h3-6H,2,7-9,14H2,1H3
InChIKeyIWBVETCACDHPEQ-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.63
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-(3,6-dihydro-2H-pyran-4-yl)-2-ethylaniline?
The IUPAC name of 3-(3,6-dihydro-2H-pyran-4-yl)-2-ethylaniline (CID 156732817) is 3-(3,6-dihydro-2H-pyran-4-yl)-2-ethylaniline.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyran-4-yl)-2-ethylaniline?
The canonical SMILES for 3-(3,6-dihydro-2H-pyran-4-yl)-2-ethylaniline is CCc1c(N)cccc1C1=CCOCC1.
What is the InChIKey of 3-(3,6-dihydro-2H-pyran-4-yl)-2-ethylaniline?
The InChIKey is IWBVETCACDHPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-11-12(4-3-5-13(11)14)10-6-8-15-9-7-10/h3-6H,2,7-9,14H2,1H3.
What are the key properties of 3-(3,6-dihydro-2H-pyran-4-yl)-2-ethylaniline?
3-(3,6-dihydro-2H-pyran-4-yl)-2-ethylaniline has a molecular weight of 203.28 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dihydro-2H-pyran-4-yl)-2-ethylaniline is sourced from PubChem (CID 156732817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).