4-[3-(oxolan-2-yl)propoxy]aniline

C13H19NO2 — CID 65158811

IUPAC4-[3-(oxolan-2-yl)propoxy]aniline
SMILESNc1ccc(OCCCC2CCCO2)cc1
InChIInChI=1S/C13H19NO2/c14-11-5-7-13(8-6-11)16-10-2-4-12-3-1-9-15-12/h5-8,12H,1-4,9-10,14H2
InChIKeyMVBARILSQAPBHM-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.61
Rot. Bonds5

About 4-[3-(oxolan-2-yl)propoxy]aniline

4-[3-(oxolan-2-yl)propoxy]aniline (PubChem CID 65158811) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[3-(oxolan-2-yl)propoxy]aniline.

Molecular Properties

Compound Name4-[3-(oxolan-2-yl)propoxy]aniline
PubChem CID65158811
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[3-(oxolan-2-yl)propoxy]aniline
SMILESNc1ccc(OCCCC2CCCO2)cc1
InChIInChI=1S/C13H19NO2/c14-11-5-7-13(8-6-11)16-10-2-4-12-3-1-9-15-12/h5-8,12H,1-4,9-10,14H2
InChIKeyMVBARILSQAPBHM-UHFFFAOYSA-N
XLogP2.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-tert-butylphenoxy)propyl]oxolane
CID 65170270
[4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid
CID 65163245
4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline
CID 61431012
methyl 4-[3-(oxolan-2-yl)propoxy]benzoate
CID 65158529
N'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide
CID 77057892
oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate
CID 61308131
2-[2-(4-bromophenoxy)ethyl]oxolane
CID 65161274
(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004698
2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine
CID 65158401
N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 77057898
4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine
CID 65162618
2-methyl-4-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 107671293

Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxolan-2-yl)propoxy]aniline?
The IUPAC name of 4-[3-(oxolan-2-yl)propoxy]aniline (CID 65158811) is 4-[3-(oxolan-2-yl)propoxy]aniline.
What is the SMILES notation for 4-[3-(oxolan-2-yl)propoxy]aniline?
The canonical SMILES for 4-[3-(oxolan-2-yl)propoxy]aniline is Nc1ccc(OCCCC2CCCO2)cc1.
What is the InChIKey of 4-[3-(oxolan-2-yl)propoxy]aniline?
The InChIKey is MVBARILSQAPBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c14-11-5-7-13(8-6-11)16-10-2-4-12-3-1-9-15-12/h5-8,12H,1-4,9-10,14H2.
What are the key properties of 4-[3-(oxolan-2-yl)propoxy]aniline?
4-[3-(oxolan-2-yl)propoxy]aniline has a molecular weight of 221.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxolan-2-yl)propoxy]aniline is sourced from PubChem (CID 65158811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).