N-(2-phenylethyl)-2-(3-phenylprop-2-enoxy)propan-1-amine

C20H25NO — CID 123945061

IUPACN-(2-phenylethyl)-2-(3-phenylprop-2-enoxy)propan-1-amine
SMILESCC(CNCCc1ccccc1)OCC=Cc1ccccc1
InChIInChI=1S/C20H25NO/c1-18(17-21-15-14-20-11-6-3-7-12-20)22-16-8-13-19-9-4-2-5-10-19/h2-13,18,21H,14-17H2,1H3
InChIKeyNJFBWHSQTLWFFK-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.94
Rot. Bonds9

About N-(2-phenylethyl)-2-(3-phenylprop-2-enoxy)propan-1-amine

N-(2-phenylethyl)-2-(3-phenylprop-2-enoxy)propan-1-amine (PubChem CID 123945061) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(3-phenylprop-2-enoxy)propan-1-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(3-phenylprop-2-enoxy)propan-1-amine
PubChem CID123945061
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-(2-phenylethyl)-2-(3-phenylprop-2-enoxy)propan-1-amine
SMILESCC(CNCCc1ccccc1)OCC=Cc1ccccc1
InChIInChI=1S/C20H25NO/c1-18(17-21-15-14-20-11-6-3-7-12-20)22-16-8-13-19-9-4-2-5-10-19/h2-13,18,21H,14-17H2,1H3
InChIKeyNJFBWHSQTLWFFK-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(3-phenylprop-2-enoxy)propan-1-amine?
The IUPAC name of N-(2-phenylethyl)-2-(3-phenylprop-2-enoxy)propan-1-amine (CID 123945061) is N-(2-phenylethyl)-2-(3-phenylprop-2-enoxy)propan-1-amine.
What is the SMILES notation for N-(2-phenylethyl)-2-(3-phenylprop-2-enoxy)propan-1-amine?
The canonical SMILES for N-(2-phenylethyl)-2-(3-phenylprop-2-enoxy)propan-1-amine is CC(CNCCc1ccccc1)OCC=Cc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-(3-phenylprop-2-enoxy)propan-1-amine?
The InChIKey is NJFBWHSQTLWFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-18(17-21-15-14-20-11-6-3-7-12-20)22-16-8-13-19-9-4-2-5-10-19/h2-13,18,21H,14-17H2,1H3.
What are the key properties of N-(2-phenylethyl)-2-(3-phenylprop-2-enoxy)propan-1-amine?
N-(2-phenylethyl)-2-(3-phenylprop-2-enoxy)propan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(3-phenylprop-2-enoxy)propan-1-amine is sourced from PubChem (CID 123945061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).