3-ethylperoxy-2-(4-fluorophenyl)propan-1-amine

C11H16FNO2 — CID 88585550

IUPAC3-ethylperoxy-2-(4-fluorophenyl)propan-1-amine
SMILESCCOOCC(CN)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO2/c1-2-14-15-8-10(7-13)9-3-5-11(12)6-4-9/h3-6,10H,2,7-8,13H2,1H3
InChIKeyYZELSQICVKYYRO-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.84
Rot. Bonds6

About 3-ethylperoxy-2-(4-fluorophenyl)propan-1-amine

3-ethylperoxy-2-(4-fluorophenyl)propan-1-amine (PubChem CID 88585550) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 3-ethylperoxy-2-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-ethylperoxy-2-(4-fluorophenyl)propan-1-amine
PubChem CID88585550
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name3-ethylperoxy-2-(4-fluorophenyl)propan-1-amine
SMILESCCOOCC(CN)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO2/c1-2-14-15-8-10(7-13)9-3-5-11(12)6-4-9/h3-6,10H,2,7-8,13H2,1H3
InChIKeyYZELSQICVKYYRO-UHFFFAOYSA-N
XLogP1.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 3-ethylperoxy-2-(4-fluorophenyl)propan-1-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

ethyl 3-[[3-ethylperoxy-2-(4-fluorophenyl)propyl]-methylamino]propanoate
CID 88585554
2-(4-fluorophenyl)hexan-1-amine
CID 79442321
2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106706114
2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79441509
2-(4-fluorophenyl)heptan-1-amine
CID 79442393
2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 117244962
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
3-amino-2-(4-fluorophenyl)propane-1-thiol
CID 117245030
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 91810279
4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138103
3-(4-fluorophenyl)pentan-1-amine
CID 15014572
2-(4-fluorophenyl)-4-(3-methylbutoxy)butan-1-amine
CID 79442251

Frequently Asked Questions

What is the IUPAC name of 3-ethylperoxy-2-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-ethylperoxy-2-(4-fluorophenyl)propan-1-amine (CID 88585550) is 3-ethylperoxy-2-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-ethylperoxy-2-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-ethylperoxy-2-(4-fluorophenyl)propan-1-amine is CCOOCC(CN)c1ccc(F)cc1.
What is the InChIKey of 3-ethylperoxy-2-(4-fluorophenyl)propan-1-amine?
The InChIKey is YZELSQICVKYYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-2-14-15-8-10(7-13)9-3-5-11(12)6-4-9/h3-6,10H,2,7-8,13H2,1H3.
What are the key properties of 3-ethylperoxy-2-(4-fluorophenyl)propan-1-amine?
3-ethylperoxy-2-(4-fluorophenyl)propan-1-amine has a molecular weight of 213.25 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylperoxy-2-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 88585550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).