3-[1-(oxan-2-ylmethoxy)ethyl]aniline

C14H21NO2 — CID 61262580

IUPAC3-[1-(oxan-2-ylmethoxy)ethyl]aniline
SMILESCC(OCC1CCCCO1)c1cccc(N)c1
InChIInChI=1S/C14H21NO2/c1-11(12-5-4-6-13(15)9-12)17-10-14-7-2-3-8-16-14/h4-6,9,11,14H,2-3,7-8,10,15H2,1H3
InChIKeyPZYCQGXUFFMTQD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.92
Rot. Bonds4

About 3-[1-(oxan-2-ylmethoxy)ethyl]aniline

3-[1-(oxan-2-ylmethoxy)ethyl]aniline (PubChem CID 61262580) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[1-(oxan-2-ylmethoxy)ethyl]aniline.

Molecular Properties

Compound Name3-[1-(oxan-2-ylmethoxy)ethyl]aniline
PubChem CID61262580
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[1-(oxan-2-ylmethoxy)ethyl]aniline
SMILESCC(OCC1CCCCO1)c1cccc(N)c1
InChIInChI=1S/C14H21NO2/c1-11(12-5-4-6-13(15)9-12)17-10-14-7-2-3-8-16-14/h4-6,9,11,14H,2-3,7-8,10,15H2,1H3
InChIKeyPZYCQGXUFFMTQD-UHFFFAOYSA-N
XLogP2.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol
CID 143051501
1-(oxolan-2-ylmethoxy)-1-phenylpropan-2-amine
CID 55017321
1-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 68624351
2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]oxane
CID 114772647
3-[[oxan-2-ylmethyl(propan-2-yl)amino]methyl]aniline
CID 43591946
2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine
CID 62445664
1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine
CID 55019249
N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide
CID 18070263
4-methoxy-3-(oxan-2-ylmethoxy)aniline
CID 43591699
1-(oxan-2-ylmethoxy)-1-thiophen-2-ylpropan-2-amine
CID 55020930
methyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate
CID 79084595
1-(3-aminophenyl)-3-(oxolan-2-ylmethylamino)propan-1-ol
CID 112513420

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxan-2-ylmethoxy)ethyl]aniline?
The IUPAC name of 3-[1-(oxan-2-ylmethoxy)ethyl]aniline (CID 61262580) is 3-[1-(oxan-2-ylmethoxy)ethyl]aniline.
What is the SMILES notation for 3-[1-(oxan-2-ylmethoxy)ethyl]aniline?
The canonical SMILES for 3-[1-(oxan-2-ylmethoxy)ethyl]aniline is CC(OCC1CCCCO1)c1cccc(N)c1.
What is the InChIKey of 3-[1-(oxan-2-ylmethoxy)ethyl]aniline?
The InChIKey is PZYCQGXUFFMTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(12-5-4-6-13(15)9-12)17-10-14-7-2-3-8-16-14/h4-6,9,11,14H,2-3,7-8,10,15H2,1H3.
What are the key properties of 3-[1-(oxan-2-ylmethoxy)ethyl]aniline?
3-[1-(oxan-2-ylmethoxy)ethyl]aniline has a molecular weight of 235.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxan-2-ylmethoxy)ethyl]aniline is sourced from PubChem (CID 61262580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).