N-(4-ethoxy-2-methylphenyl)oxolan-3-amine

C13H19NO2 — CID 63335587

IUPACN-(4-ethoxy-2-methylphenyl)oxolan-3-amine
SMILESCCOc1ccc(NC2CCOC2)c(C)c1
InChIInChI=1S/C13H19NO2/c1-3-16-12-4-5-13(10(2)8-12)14-11-6-7-15-9-11/h4-5,8,11,14H,3,6-7,9H2,1-2H3
InChIKeyPAVPEUBYTLHHIO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.59
Rot. Bonds4

About N-(4-ethoxy-2-methylphenyl)oxolan-3-amine

N-(4-ethoxy-2-methylphenyl)oxolan-3-amine (PubChem CID 63335587) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(4-ethoxy-2-methylphenyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(4-ethoxy-2-methylphenyl)oxolan-3-amine
PubChem CID63335587
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(4-ethoxy-2-methylphenyl)oxolan-3-amine
SMILESCCOc1ccc(NC2CCOC2)c(C)c1
InChIInChI=1S/C13H19NO2/c1-3-16-12-4-5-13(10(2)8-12)14-11-6-7-15-9-11/h4-5,8,11,14H,3,6-7,9H2,1-2H3
InChIKeyPAVPEUBYTLHHIO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline
CID 63451354
4-ethoxy-2-methyl-N-(3-methylcyclopentyl)aniline
CID 64500477
N-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline
CID 64752605
N-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline
CID 64624806
N-(3-ethoxy-4-methylphenyl)oxolan-3-amine
CID 115744217
N-(4-ethoxy-2-methylphenyl)adamantan-2-amine
CID 63451444
N-(4-ethoxy-2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63451179
N-cyclobutyl-2-methyl-4-propoxyaniline
CID 115884959
N-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 60936279
1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682196
N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine
CID 63335368
N-cyclopentyl-4-methoxy-2-methylaniline
CID 62867512

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-methylphenyl)oxolan-3-amine?
The IUPAC name of N-(4-ethoxy-2-methylphenyl)oxolan-3-amine (CID 63335587) is N-(4-ethoxy-2-methylphenyl)oxolan-3-amine.
What is the SMILES notation for N-(4-ethoxy-2-methylphenyl)oxolan-3-amine?
The canonical SMILES for N-(4-ethoxy-2-methylphenyl)oxolan-3-amine is CCOc1ccc(NC2CCOC2)c(C)c1.
What is the InChIKey of N-(4-ethoxy-2-methylphenyl)oxolan-3-amine?
The InChIKey is PAVPEUBYTLHHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-16-12-4-5-13(10(2)8-12)14-11-6-7-15-9-11/h4-5,8,11,14H,3,6-7,9H2,1-2H3.
What are the key properties of N-(4-ethoxy-2-methylphenyl)oxolan-3-amine?
N-(4-ethoxy-2-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-(4-ethoxy-2-methylphenyl)oxolan-3-amine is sourced from PubChem (CID 63335587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).