N,N-diethyl-3-[(4-fluorophenoxy)methyl]oxiran-2-amine

C13H18FNO2 — CID 174187392

IUPACN,N-diethyl-3-[(4-fluorophenoxy)methyl]oxiran-2-amine
SMILESCCN(CC)C1OC1COc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-3-15(4-2)13-12(17-13)9-16-11-7-5-10(14)6-8-11/h5-8,12-13H,3-4,9H2,1-2H3
InChIKeyGWXQPHKXCQADAP-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.27
Rot. Bonds6

About N,N-diethyl-3-[(4-fluorophenoxy)methyl]oxiran-2-amine

N,N-diethyl-3-[(4-fluorophenoxy)methyl]oxiran-2-amine (PubChem CID 174187392) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N,N-diethyl-3-[(4-fluorophenoxy)methyl]oxiran-2-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[(4-fluorophenoxy)methyl]oxiran-2-amine
PubChem CID174187392
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN,N-diethyl-3-[(4-fluorophenoxy)methyl]oxiran-2-amine
SMILESCCN(CC)C1OC1COc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-3-15(4-2)13-12(17-13)9-16-11-7-5-10(14)6-8-11/h5-8,12-13H,3-4,9H2,1-2H3
InChIKeyGWXQPHKXCQADAP-UHFFFAOYSA-N
XLogP2.27
TPSA25.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N,N-diethyl-3-[(4-fluorophenoxy)methyl]oxiran-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-fluorophenoxy)methyl]-5-methanidyloxolane;tungsten(2+)
CID 20590710
CID 59882690
CID 59882690
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene
CID 580551
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene
CID 173416825
1-[(4-ethylcyclohexyl)methoxy]-4-[2-(4-fluorophenyl)ethynyl]benzene
CID 67933653
2-[(4-fluorophenoxy)methyl]-2H-1,3,4-oxadiazole-5-thione
CID 170923839
4-[(3-methyloxiran-2-yl)methoxy]benzaldehyde
CID 102230361
2-[(4-fluorophenoxy)methyl]azetidine
CID 115070930
N-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 62454144
N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine
CID 171832104

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(4-fluorophenoxy)methyl]oxiran-2-amine?
The IUPAC name of N,N-diethyl-3-[(4-fluorophenoxy)methyl]oxiran-2-amine (CID 174187392) is N,N-diethyl-3-[(4-fluorophenoxy)methyl]oxiran-2-amine.
What is the SMILES notation for N,N-diethyl-3-[(4-fluorophenoxy)methyl]oxiran-2-amine?
The canonical SMILES for N,N-diethyl-3-[(4-fluorophenoxy)methyl]oxiran-2-amine is CCN(CC)C1OC1COc1ccc(F)cc1.
What is the InChIKey of N,N-diethyl-3-[(4-fluorophenoxy)methyl]oxiran-2-amine?
The InChIKey is GWXQPHKXCQADAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-3-15(4-2)13-12(17-13)9-16-11-7-5-10(14)6-8-11/h5-8,12-13H,3-4,9H2,1-2H3.
What are the key properties of N,N-diethyl-3-[(4-fluorophenoxy)methyl]oxiran-2-amine?
N,N-diethyl-3-[(4-fluorophenoxy)methyl]oxiran-2-amine has a molecular weight of 239.29 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(4-fluorophenoxy)methyl]oxiran-2-amine is sourced from PubChem (CID 174187392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).