4-[1-(oxan-4-yl)ethyl]aniline

C13H19NO — CID 115024237

IUPAC4-[1-(oxan-4-yl)ethyl]aniline
SMILESCC(c1ccc(N)cc1)C1CCOCC1
InChIInChI=1S/C13H19NO/c1-10(12-6-8-15-9-7-12)11-2-4-13(14)5-3-11/h2-5,10,12H,6-9,14H2,1H3
InChIKeyGLWFEFJYVUMEMK-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.80
Rot. Bonds2

About 4-[1-(oxan-4-yl)ethyl]aniline

4-[1-(oxan-4-yl)ethyl]aniline (PubChem CID 115024237) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-[1-(oxan-4-yl)ethyl]aniline.

Molecular Properties

Compound Name4-[1-(oxan-4-yl)ethyl]aniline
PubChem CID115024237
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-[1-(oxan-4-yl)ethyl]aniline
SMILESCC(c1ccc(N)cc1)C1CCOCC1
InChIInChI=1S/C13H19NO/c1-10(12-6-8-15-9-7-12)11-2-4-13(14)5-3-11/h2-5,10,12H,6-9,14H2,1H3
InChIKeyGLWFEFJYVUMEMK-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.80
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

4-[2,2-difluoro-1-(oxan-4-yl)ethyl]aniline
CID 115044138
4-(1-piperidin-4-ylethyl)aniline
CID 115023731
4-[1-(oxan-4-yl)ethyl]benzoic acid
CID 115040159
4-[1-(oxepan-4-yl)ethyl]phenol
CID 147128517
3-(1-phenylethyl)oxolane
CID 150323599
(S)-(4-methylphenyl)-(oxan-4-yl)methanamine
CID 94891785
4-[2-methyl-1-(4-methylphenyl)propyl]oxane
CID 170430270
4-(1-morpholin-4-ylethyl)aniline
CID 50987527
1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
CID 62264706
2-[2-[1-(oxan-4-yl)ethyl]phenyl]ethanamine
CID 115039806
2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
CID 119801734
2-[1-(oxan-4-yl)ethyl]-1,3-dihydroisoindol-5-amine
CID 114115315

Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxan-4-yl)ethyl]aniline?
The IUPAC name of 4-[1-(oxan-4-yl)ethyl]aniline (CID 115024237) is 4-[1-(oxan-4-yl)ethyl]aniline.
What is the SMILES notation for 4-[1-(oxan-4-yl)ethyl]aniline?
The canonical SMILES for 4-[1-(oxan-4-yl)ethyl]aniline is CC(c1ccc(N)cc1)C1CCOCC1.
What is the InChIKey of 4-[1-(oxan-4-yl)ethyl]aniline?
The InChIKey is GLWFEFJYVUMEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(12-6-8-15-9-7-12)11-2-4-13(14)5-3-11/h2-5,10,12H,6-9,14H2,1H3.
What are the key properties of 4-[1-(oxan-4-yl)ethyl]aniline?
4-[1-(oxan-4-yl)ethyl]aniline has a molecular weight of 205.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxan-4-yl)ethyl]aniline is sourced from PubChem (CID 115024237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).