N-(1-phenylethoxy)pent-4-en-2-amine

C13H19NO — CID 134994211

IUPACN-(1-phenylethoxy)pent-4-en-2-amine
SMILESC=CCC(C)NOC(C)c1ccccc1
InChIInChI=1S/C13H19NO/c1-4-8-11(2)14-15-12(3)13-9-6-5-7-10-13/h4-7,9-12,14H,1,8H2,2-3H3
InChIKeyOQTFXHWFIKKGCS-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.23
Rot. Bonds6

About N-(1-phenylethoxy)pent-4-en-2-amine

N-(1-phenylethoxy)pent-4-en-2-amine (PubChem CID 134994211) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(1-phenylethoxy)pent-4-en-2-amine.

Molecular Properties

Compound NameN-(1-phenylethoxy)pent-4-en-2-amine
PubChem CID134994211
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(1-phenylethoxy)pent-4-en-2-amine
SMILESC=CCC(C)NOC(C)c1ccccc1
InChIInChI=1S/C13H19NO/c1-4-8-11(2)14-15-12(3)13-9-6-5-7-10-13/h4-7,9-12,14H,1,8H2,2-3H3
InChIKeyOQTFXHWFIKKGCS-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-phenylethoxy)pent-4-en-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

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethoxy)pent-4-en-2-amine?
The IUPAC name of N-(1-phenylethoxy)pent-4-en-2-amine (CID 134994211) is N-(1-phenylethoxy)pent-4-en-2-amine.
What is the SMILES notation for N-(1-phenylethoxy)pent-4-en-2-amine?
The canonical SMILES for N-(1-phenylethoxy)pent-4-en-2-amine is C=CCC(C)NOC(C)c1ccccc1.
What is the InChIKey of N-(1-phenylethoxy)pent-4-en-2-amine?
The InChIKey is OQTFXHWFIKKGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-8-11(2)14-15-12(3)13-9-6-5-7-10-13/h4-7,9-12,14H,1,8H2,2-3H3.
What are the key properties of N-(1-phenylethoxy)pent-4-en-2-amine?
N-(1-phenylethoxy)pent-4-en-2-amine has a molecular weight of 205.30 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethoxy)pent-4-en-2-amine is sourced from PubChem (CID 134994211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).