4-[2-(oxan-4-yloxy)ethyl]aniline

C13H19NO2 — CID 61286553

IUPAC4-[2-(oxan-4-yloxy)ethyl]aniline
SMILESNc1ccc(CCOC2CCOCC2)cc1
InChIInChI=1S/C13H19NO2/c14-12-3-1-11(2-4-12)5-10-16-13-6-8-15-9-7-13/h1-4,13H,5-10,14H2
InChIKeyMGIPFCHUOZHISI-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.01
Rot. Bonds4

About 4-[2-(oxan-4-yloxy)ethyl]aniline

4-[2-(oxan-4-yloxy)ethyl]aniline (PubChem CID 61286553) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[2-(oxan-4-yloxy)ethyl]aniline.

Molecular Properties

Compound Name4-[2-(oxan-4-yloxy)ethyl]aniline
PubChem CID61286553
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[2-(oxan-4-yloxy)ethyl]aniline
SMILESNc1ccc(CCOC2CCOCC2)cc1
InChIInChI=1S/C13H19NO2/c14-12-3-1-11(2-4-12)5-10-16-13-6-8-15-9-7-13/h1-4,13H,5-10,14H2
InChIKeyMGIPFCHUOZHISI-UHFFFAOYSA-N
XLogP2.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

oxan-4-yl 2-(4-aminophenyl)acetate
CID 61286946
N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide
CID 61289162
[4-[3-(oxan-4-yloxy)propoxy]phenyl]methanamine
CID 61286758
4-[[4-(oxan-4-yloxy)anilino]methyl]aniline
CID 59230554
4-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 43519719
3-bromo-4-(oxan-4-yloxymethyl)aniline
CID 61286957
3-[2-(4-bromophenyl)ethoxy]oxane
CID 67606363
2-cyclobutyloxyethylbenzene
CID 54003575
CID 168763654
CID 168763654
4-(1,9-dioxaspiro[5.5]undecan-4-yloxymethyl)aniline
CID 79904766
4-phenylmethoxyoxane
CID 66554133
1-morpholin-4-yl-3-[4-(2-phenylethoxy)piperidin-1-yl]propan-2-ol
CID 110908286

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxan-4-yloxy)ethyl]aniline?
The IUPAC name of 4-[2-(oxan-4-yloxy)ethyl]aniline (CID 61286553) is 4-[2-(oxan-4-yloxy)ethyl]aniline.
What is the SMILES notation for 4-[2-(oxan-4-yloxy)ethyl]aniline?
The canonical SMILES for 4-[2-(oxan-4-yloxy)ethyl]aniline is Nc1ccc(CCOC2CCOCC2)cc1.
What is the InChIKey of 4-[2-(oxan-4-yloxy)ethyl]aniline?
The InChIKey is MGIPFCHUOZHISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c14-12-3-1-11(2-4-12)5-10-16-13-6-8-15-9-7-13/h1-4,13H,5-10,14H2.
What are the key properties of 4-[2-(oxan-4-yloxy)ethyl]aniline?
4-[2-(oxan-4-yloxy)ethyl]aniline has a molecular weight of 221.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxan-4-yloxy)ethyl]aniline is sourced from PubChem (CID 61286553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).