N-ethylperoxy-4-phenylbutan-1-amine

C12H19NO2 — CID 141109269

IUPACN-ethylperoxy-4-phenylbutan-1-amine
SMILESCCOONCCCCc1ccccc1
InChIInChI=1S/C12H19NO2/c1-2-14-15-13-11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3
InChIKeyMTKOVROODUXVIA-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.48
Rot. Bonds8

About N-ethylperoxy-4-phenylbutan-1-amine

N-ethylperoxy-4-phenylbutan-1-amine (PubChem CID 141109269) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-ethylperoxy-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-ethylperoxy-4-phenylbutan-1-amine
PubChem CID141109269
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-ethylperoxy-4-phenylbutan-1-amine
SMILESCCOONCCCCc1ccccc1
InChIInChI=1S/C12H19NO2/c1-2-14-15-13-11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3
InChIKeyMTKOVROODUXVIA-UHFFFAOYSA-N
XLogP2.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.48
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 N-ethylperoxy-4-phenylbutan-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

6-ethoxyhexylbenzene
CID 54300935
N-ethyl-17-phenylheptadecan-1-amine
CID 139804977
N-methyl-9-phenylnonan-1-amine
CID 10609702
4-phenylbutylbenzene
CID 141301927
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
5-phenyl-N-propylpentan-1-amine
CID 62530615
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine
CID 114333296
3-ethyl-N-(4-phenylbutyl)pentan-3-amine
CID 114333397
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972

Frequently Asked Questions

What is the IUPAC name of N-ethylperoxy-4-phenylbutan-1-amine?
The IUPAC name of N-ethylperoxy-4-phenylbutan-1-amine (CID 141109269) is N-ethylperoxy-4-phenylbutan-1-amine.
What is the SMILES notation for N-ethylperoxy-4-phenylbutan-1-amine?
The canonical SMILES for N-ethylperoxy-4-phenylbutan-1-amine is CCOONCCCCc1ccccc1.
What is the InChIKey of N-ethylperoxy-4-phenylbutan-1-amine?
The InChIKey is MTKOVROODUXVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-14-15-13-11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3.
What are the key properties of N-ethylperoxy-4-phenylbutan-1-amine?
N-ethylperoxy-4-phenylbutan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylperoxy-4-phenylbutan-1-amine is sourced from PubChem (CID 141109269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).