2-(2-pentan-3-yloxyethyl)aniline

C13H21NO — CID 102902683

IUPAC2-(2-pentan-3-yloxyethyl)aniline
SMILESCCC(CC)OCCc1ccccc1N
InChIInChI=1S/C13H21NO/c1-3-12(4-2)15-10-9-11-7-5-6-8-13(11)14/h5-8,12H,3-4,9-10,14H2,1-2H3
InChIKeyGFOFOGASAKVJSZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.02
Rot. Bonds6

About 2-(2-pentan-3-yloxyethyl)aniline

2-(2-pentan-3-yloxyethyl)aniline (PubChem CID 102902683) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2-pentan-3-yloxyethyl)aniline.

Molecular Properties

Compound Name2-(2-pentan-3-yloxyethyl)aniline
PubChem CID102902683
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(2-pentan-3-yloxyethyl)aniline
SMILESCCC(CC)OCCc1ccccc1N
InChIInChI=1S/C13H21NO/c1-3-12(4-2)15-10-9-11-7-5-6-8-13(11)14/h5-8,12H,3-4,9-10,14H2,1-2H3
InChIKeyGFOFOGASAKVJSZ-UHFFFAOYSA-N
XLogP3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethyl)aniline
CID 14619442
2-[2-(2-aminophenyl)ethoxy]-N-phenylpropanamide
CID 102902653
2-(2-butan-2-ylsulfonylethyl)aniline
CID 62496097
2-[2-(2-methylsulfanylphenoxy)ethyl]aniline
CID 63649319
2-[2-(2-aminophenyl)ethoxy]-N-(methylcarbamoyl)propanamide
CID 102902655
2-ethylaniline;propane
CID 143529464
ethane;2-ethylaniline
CID 90841248
2-[2-(2-fluoroethoxy)ethyl]aniline
CID 102902179
2-(2-aminoethyl)aniline;ethane
CID 90745291
2-tetradecylaniline
CID 22218918
ethane;2-(3-methylbutyl)aniline
CID 143042088
2-[2-(2-aminophenyl)ethoxy]-N-(furan-2-ylmethyl)propanamide
CID 102902392

Frequently Asked Questions

What is the IUPAC name of 2-(2-pentan-3-yloxyethyl)aniline?
The IUPAC name of 2-(2-pentan-3-yloxyethyl)aniline (CID 102902683) is 2-(2-pentan-3-yloxyethyl)aniline.
What is the SMILES notation for 2-(2-pentan-3-yloxyethyl)aniline?
The canonical SMILES for 2-(2-pentan-3-yloxyethyl)aniline is CCC(CC)OCCc1ccccc1N.
What is the InChIKey of 2-(2-pentan-3-yloxyethyl)aniline?
The InChIKey is GFOFOGASAKVJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-12(4-2)15-10-9-11-7-5-6-8-13(11)14/h5-8,12H,3-4,9-10,14H2,1-2H3.
What are the key properties of 2-(2-pentan-3-yloxyethyl)aniline?
2-(2-pentan-3-yloxyethyl)aniline has a molecular weight of 207.32 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentan-3-yloxyethyl)aniline is sourced from PubChem (CID 102902683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).