4-ethyl-N-(oxolan-3-ylmethyl)aniline

C13H19NO — CID 43195564

IUPAC4-ethyl-N-(oxolan-3-ylmethyl)aniline
SMILESCCc1ccc(NCC2CCOC2)cc1
InChIInChI=1S/C13H19NO/c1-2-11-3-5-13(6-4-11)14-9-12-7-8-15-10-12/h3-6,12,14H,2,7-10H2,1H3
InChIKeyBSDDMHORFYOOHM-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.70
Rot. Bonds4

About 4-ethyl-N-(oxolan-3-ylmethyl)aniline

4-ethyl-N-(oxolan-3-ylmethyl)aniline (PubChem CID 43195564) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-ethyl-N-(oxolan-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-ethyl-N-(oxolan-3-ylmethyl)aniline
PubChem CID43195564
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-ethyl-N-(oxolan-3-ylmethyl)aniline
SMILESCCc1ccc(NCC2CCOC2)cc1
InChIInChI=1S/C13H19NO/c1-2-11-3-5-13(6-4-11)14-9-12-7-8-15-10-12/h3-6,12,14H,2,7-10H2,1H3
InChIKeyBSDDMHORFYOOHM-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(oxolan-3-ylmethyl)aniline?
The IUPAC name of 4-ethyl-N-(oxolan-3-ylmethyl)aniline (CID 43195564) is 4-ethyl-N-(oxolan-3-ylmethyl)aniline.
What is the SMILES notation for 4-ethyl-N-(oxolan-3-ylmethyl)aniline?
The canonical SMILES for 4-ethyl-N-(oxolan-3-ylmethyl)aniline is CCc1ccc(NCC2CCOC2)cc1.
What is the InChIKey of 4-ethyl-N-(oxolan-3-ylmethyl)aniline?
The InChIKey is BSDDMHORFYOOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-11-3-5-13(6-4-11)14-9-12-7-8-15-10-12/h3-6,12,14H,2,7-10H2,1H3.
What are the key properties of 4-ethyl-N-(oxolan-3-ylmethyl)aniline?
4-ethyl-N-(oxolan-3-ylmethyl)aniline has a molecular weight of 205.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(oxolan-3-ylmethyl)aniline is sourced from PubChem (CID 43195564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).