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

C20H25NO — CID 101212628

IUPAC1-phenyl-N-(1-phenylbutoxy)but-3-en-1-amine
SMILESC=CCC(NOC(CCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO/c1-3-11-19(17-13-7-5-8-14-17)21-22-20(12-4-2)18-15-9-6-10-16-18/h3,5-10,13-16,19-21H,1,4,11-12H2,2H3
InChIKeyQWOOPZTUPBVCGP-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.37
Rot. Bonds9

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

1-phenyl-N-(1-phenylbutoxy)but-3-en-1-amine (PubChem CID 101212628) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-phenyl-N-(1-phenylbutoxy)but-3-en-1-amine.

Molecular Properties

Compound Name1-phenyl-N-(1-phenylbutoxy)but-3-en-1-amine
PubChem CID101212628
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-phenyl-N-(1-phenylbutoxy)but-3-en-1-amine
SMILESC=CCC(NOC(CCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO/c1-3-11-19(17-13-7-5-8-14-17)21-22-20(12-4-2)18-15-9-6-10-16-18/h3,5-10,13-16,19-21H,1,4,11-12H2,2H3
InChIKeyQWOOPZTUPBVCGP-UHFFFAOYSA-N
XLogP5.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.37
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-phenylbutoxy)but-3-en-1-amine?
The IUPAC name of 1-phenyl-N-(1-phenylbutoxy)but-3-en-1-amine (CID 101212628) is 1-phenyl-N-(1-phenylbutoxy)but-3-en-1-amine.
What is the SMILES notation for 1-phenyl-N-(1-phenylbutoxy)but-3-en-1-amine?
The canonical SMILES for 1-phenyl-N-(1-phenylbutoxy)but-3-en-1-amine is C=CCC(NOC(CCC)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(1-phenylbutoxy)but-3-en-1-amine?
The InChIKey is QWOOPZTUPBVCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-3-11-19(17-13-7-5-8-14-17)21-22-20(12-4-2)18-15-9-6-10-16-18/h3,5-10,13-16,19-21H,1,4,11-12H2,2H3.
What are the key properties of 1-phenyl-N-(1-phenylbutoxy)but-3-en-1-amine?
1-phenyl-N-(1-phenylbutoxy)but-3-en-1-amine has a molecular weight of 295.43 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1-phenylbutoxy)but-3-en-1-amine is sourced from PubChem (CID 101212628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).