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

C12H16FNO2 — CID 115743254

IUPACN-(4-ethoxy-3-fluorophenyl)oxolan-3-amine
SMILESCCOc1ccc(NC2CCOC2)cc1F
InChIInChI=1S/C12H16FNO2/c1-2-16-12-4-3-9(7-11(12)13)14-10-5-6-15-8-10/h3-4,7,10,14H,2,5-6,8H2,1H3
InChIKeySZPZNENNCJAPNE-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.43
Rot. Bonds4

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

N-(4-ethoxy-3-fluorophenyl)oxolan-3-amine (PubChem CID 115743254) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(4-ethoxy-3-fluorophenyl)oxolan-3-amine
PubChem CID115743254
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC NameN-(4-ethoxy-3-fluorophenyl)oxolan-3-amine
SMILESCCOc1ccc(NC2CCOC2)cc1F
InChIInChI=1S/C12H16FNO2/c1-2-16-12-4-3-9(7-11(12)13)14-10-5-6-15-8-10/h3-4,7,10,14H,2,5-6,8H2,1H3
InChIKeySZPZNENNCJAPNE-UHFFFAOYSA-N
XLogP2.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.43
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

N-(4-ethoxy-3-fluorophenyl)oxepan-4-amine
CID 115919016
N-(3-ethoxy-4-methylphenyl)oxolan-3-amine
CID 115744217
N-(4-ethoxy-3-fluorophenyl)-2-methyloxan-4-amine
CID 112568281
2-ethoxy-4-N-(oxan-3-yl)benzene-1,4-diamine
CID 55232763
N-(3,4,5-trifluorophenyl)oxolan-3-amine
CID 63335709
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide
CID 112701655
N-(4-ethoxy-3-fluorophenyl)spiro[3.5]nonan-3-amine
CID 102952301
N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696
4-ethoxy-N-ethyl-3-fluoroaniline
CID 82490729
N-(3,5-difluorophenyl)oxolan-3-amine
CID 63331468
3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline
CID 43193089

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)oxolan-3-amine?
The IUPAC name of N-(4-ethoxy-3-fluorophenyl)oxolan-3-amine (CID 115743254) is N-(4-ethoxy-3-fluorophenyl)oxolan-3-amine.
What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)oxolan-3-amine?
The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)oxolan-3-amine is CCOc1ccc(NC2CCOC2)cc1F.
What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)oxolan-3-amine?
The InChIKey is SZPZNENNCJAPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-2-16-12-4-3-9(7-11(12)13)14-10-5-6-15-8-10/h3-4,7,10,14H,2,5-6,8H2,1H3.
What are the key properties of N-(4-ethoxy-3-fluorophenyl)oxolan-3-amine?
N-(4-ethoxy-3-fluorophenyl)oxolan-3-amine has a molecular weight of 225.26 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-fluorophenyl)oxolan-3-amine is sourced from PubChem (CID 115743254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).