N-(3-ethoxy-4-methylphenyl)oxolan-3-amine

C13H19NO2 — CID 115744217

IUPACN-(3-ethoxy-4-methylphenyl)oxolan-3-amine
SMILESCCOc1cc(NC2CCOC2)ccc1C
InChIInChI=1S/C13H19NO2/c1-3-16-13-8-11(5-4-10(13)2)14-12-6-7-15-9-12/h4-5,8,12,14H,3,6-7,9H2,1-2H3
InChIKeyGTBUJSWTAOFQCD-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.59
Rot. Bonds4

About N-(3-ethoxy-4-methylphenyl)oxolan-3-amine

N-(3-ethoxy-4-methylphenyl)oxolan-3-amine (PubChem CID 115744217) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3-ethoxy-4-methylphenyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(3-ethoxy-4-methylphenyl)oxolan-3-amine
PubChem CID115744217
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(3-ethoxy-4-methylphenyl)oxolan-3-amine
SMILESCCOc1cc(NC2CCOC2)ccc1C
InChIInChI=1S/C13H19NO2/c1-3-16-13-8-11(5-4-10(13)2)14-12-6-7-15-9-12/h4-5,8,12,14H,3,6-7,9H2,1-2H3
InChIKeyGTBUJSWTAOFQCD-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxy-3-fluorophenyl)oxolan-3-amine
CID 115743254
2-ethoxy-4-N-(oxan-3-yl)benzene-1,4-diamine
CID 55232763
N-(4-ethoxy-2-methylphenyl)oxolan-3-amine
CID 63335587
N-(4-ethoxy-3-fluorophenyl)oxepan-4-amine
CID 115919016
N-cyclobutyl-4-ethoxy-3-methylaniline
CID 115884846
2-methyl-4-(oxolan-3-ylamino)benzoic acid
CID 81281891
3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline
CID 43193089
N-(4-propylphenyl)oxolan-3-amine
CID 63331785
N-cyclopropyl-3-(3-iodopropoxy)-4-methylaniline
CID 70325685
4-(oxolan-3-ylamino)benzene-1,2-dicarbonitrile
CID 107788481
N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865
3-(2,2-difluoroethoxy)-4-methyl-N-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]aniline
CID 124628141

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-4-methylphenyl)oxolan-3-amine?
The IUPAC name of N-(3-ethoxy-4-methylphenyl)oxolan-3-amine (CID 115744217) is N-(3-ethoxy-4-methylphenyl)oxolan-3-amine.
What is the SMILES notation for N-(3-ethoxy-4-methylphenyl)oxolan-3-amine?
The canonical SMILES for N-(3-ethoxy-4-methylphenyl)oxolan-3-amine is CCOc1cc(NC2CCOC2)ccc1C.
What is the InChIKey of N-(3-ethoxy-4-methylphenyl)oxolan-3-amine?
The InChIKey is GTBUJSWTAOFQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-16-13-8-11(5-4-10(13)2)14-12-6-7-15-9-12/h4-5,8,12,14H,3,6-7,9H2,1-2H3.
What are the key properties of N-(3-ethoxy-4-methylphenyl)oxolan-3-amine?
N-(3-ethoxy-4-methylphenyl)oxolan-3-amine has a molecular weight of 221.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-4-methylphenyl)oxolan-3-amine is sourced from PubChem (CID 115744217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).