(1R)-1-phenyl-N-[(1R)-1-phenylbutoxy]but-3-en-1-amine

C20H25NO — CID 15422012

IUPAC(1R)-1-phenyl-N-[(1R)-1-phenylbutoxy]but-3-en-1-amine
SMILESC=CC[C@@H](NO[C@H](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/t19-,20-/m1/s1
InChIKeyQWOOPZTUPBVCGP-WOJBJXKFSA-N
MW295.43 g/mol
LogP5.37
Rot. Bonds9

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

(1R)-1-phenyl-N-[(1R)-1-phenylbutoxy]but-3-en-1-amine (PubChem CID 15422012) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is (1R)-1-phenyl-N-[(1R)-1-phenylbutoxy]but-3-en-1-amine.

Molecular Properties

Compound Name(1R)-1-phenyl-N-[(1R)-1-phenylbutoxy]but-3-en-1-amine
PubChem CID15422012
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name(1R)-1-phenyl-N-[(1R)-1-phenylbutoxy]but-3-en-1-amine
SMILESC=CC[C@@H](NO[C@H](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/t19-,20-/m1/s1
InChIKeyQWOOPZTUPBVCGP-WOJBJXKFSA-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 (1R)-1-phenyl-N-[(1R)-1-phenylbutoxy]but-3-en-1-amine?
The IUPAC name of (1R)-1-phenyl-N-[(1R)-1-phenylbutoxy]but-3-en-1-amine (CID 15422012) is (1R)-1-phenyl-N-[(1R)-1-phenylbutoxy]but-3-en-1-amine.
What is the SMILES notation for (1R)-1-phenyl-N-[(1R)-1-phenylbutoxy]but-3-en-1-amine?
The canonical SMILES for (1R)-1-phenyl-N-[(1R)-1-phenylbutoxy]but-3-en-1-amine is C=CC[C@@H](NO[C@H](CCC)c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-N-[(1R)-1-phenylbutoxy]but-3-en-1-amine?
The InChIKey is QWOOPZTUPBVCGP-WOJBJXKFSA-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/t19-,20-/m1/s1.
What are the key properties of (1R)-1-phenyl-N-[(1R)-1-phenylbutoxy]but-3-en-1-amine?
(1R)-1-phenyl-N-[(1R)-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 (1R)-1-phenyl-N-[(1R)-1-phenylbutoxy]but-3-en-1-amine is sourced from PubChem (CID 15422012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).