N-(2-propoxypropyl)aniline

C12H19NO — CID 62585259

IUPACN-(2-propoxypropyl)aniline
SMILESCCCOC(C)CNc1ccccc1
InChIInChI=1S/C12H19NO/c1-3-9-14-11(2)10-13-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3
InChIKeyRUMBVVGWGUNJPS-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.91
Rot. Bonds6

About N-(2-propoxypropyl)aniline

N-(2-propoxypropyl)aniline (PubChem CID 62585259) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(2-propoxypropyl)aniline.

Molecular Properties

Compound NameN-(2-propoxypropyl)aniline
PubChem CID62585259
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-(2-propoxypropyl)aniline
SMILESCCCOC(C)CNc1ccccc1
InChIInChI=1S/C12H19NO/c1-3-9-14-11(2)10-13-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3
InChIKeyRUMBVVGWGUNJPS-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-propoxypropyl)aniline?
The IUPAC name of N-(2-propoxypropyl)aniline (CID 62585259) is N-(2-propoxypropyl)aniline.
What is the SMILES notation for N-(2-propoxypropyl)aniline?
The canonical SMILES for N-(2-propoxypropyl)aniline is CCCOC(C)CNc1ccccc1.
What is the InChIKey of N-(2-propoxypropyl)aniline?
The InChIKey is RUMBVVGWGUNJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-9-14-11(2)10-13-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3.
What are the key properties of N-(2-propoxypropyl)aniline?
N-(2-propoxypropyl)aniline has a molecular weight of 193.29 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propoxypropyl)aniline is sourced from PubChem (CID 62585259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).