1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine

C18H21NO — CID 15261431

IUPAC1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine
SMILESC=CCC(NOC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-3-10-18(17-13-8-5-9-14-17)19-20-15(2)16-11-6-4-7-12-16/h3-9,11-15,18-19H,1,10H2,2H3
InChIKeyRRYBVOQNVLFLIQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.59
Rot. Bonds7

About 1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine

1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine (PubChem CID 15261431) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine.

Molecular Properties

Compound Name1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine
PubChem CID15261431
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine
SMILESC=CCC(NOC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-3-10-18(17-13-8-5-9-14-17)19-20-15(2)16-11-6-4-7-12-16/h3-9,11-15,18-19H,1,10H2,2H3
InChIKeyRRYBVOQNVLFLIQ-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.59
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine?
The IUPAC name of 1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine (CID 15261431) is 1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine.
What is the SMILES notation for 1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine?
The canonical SMILES for 1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine is C=CCC(NOC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine?
The InChIKey is RRYBVOQNVLFLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-10-18(17-13-8-5-9-14-17)19-20-15(2)16-11-6-4-7-12-16/h3-9,11-15,18-19H,1,10H2,2H3.
What are the key properties of 1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine?
1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine has a molecular weight of 267.37 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine is sourced from PubChem (CID 15261431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).