4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)aniline

C15H21NO — CID 166235895

IUPAC4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)aniline
SMILESCCc1ccc(NCC2CC3CCC2O3)cc1
InChIInChI=1S/C15H21NO/c1-2-11-3-5-13(6-4-11)16-10-12-9-14-7-8-15(12)17-14/h3-6,12,14-16H,2,7-10H2,1H3
InChIKeyPAHVLAGENXURHL-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.23
Rot. Bonds4

About 4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)aniline

4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)aniline (PubChem CID 166235895) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)aniline
PubChem CID166235895
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)aniline
SMILESCCc1ccc(NCC2CC3CCC2O3)cc1
InChIInChI=1S/C15H21NO/c1-2-11-3-5-13(6-4-11)16-10-12-9-14-7-8-15(12)17-14/h3-6,12,14-16H,2,7-10H2,1H3
InChIKeyPAHVLAGENXURHL-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)aniline?
The IUPAC name of 4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)aniline (CID 166235895) is 4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)aniline.
What is the SMILES notation for 4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)aniline?
The canonical SMILES for 4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)aniline is CCc1ccc(NCC2CC3CCC2O3)cc1.
What is the InChIKey of 4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)aniline?
The InChIKey is PAHVLAGENXURHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-11-3-5-13(6-4-11)16-10-12-9-14-7-8-15(12)17-14/h3-6,12,14-16H,2,7-10H2,1H3.
What are the key properties of 4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)aniline?
4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)aniline has a molecular weight of 231.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)aniline is sourced from PubChem (CID 166235895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).