(E,2R)-4-phenyl-N-[(1R)-1-phenylpropoxy]but-3-en-2-amine

C19H23NO — CID 134870506

IUPAC(E,2R)-4-phenyl-N-[(1R)-1-phenylpropoxy]but-3-en-2-amine
SMILESCC[C@@H](ON[C@H](C)/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-3-19(18-12-8-5-9-13-18)21-20-16(2)14-15-17-10-6-4-7-11-17/h4-16,19-20H,3H2,1-2H3/b15-14+/t16-,19-/m1/s1
InChIKeyMPTLFYKUFQXOJN-MABPENCRSA-N
MW281.40 g/mol
LogP4.76
Rot. Bonds7

About (E,2R)-4-phenyl-N-[(1R)-1-phenylpropoxy]but-3-en-2-amine

(E,2R)-4-phenyl-N-[(1R)-1-phenylpropoxy]but-3-en-2-amine (PubChem CID 134870506) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (E,2R)-4-phenyl-N-[(1R)-1-phenylpropoxy]but-3-en-2-amine.

Molecular Properties

Compound Name(E,2R)-4-phenyl-N-[(1R)-1-phenylpropoxy]but-3-en-2-amine
PubChem CID134870506
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(E,2R)-4-phenyl-N-[(1R)-1-phenylpropoxy]but-3-en-2-amine
SMILESCC[C@@H](ON[C@H](C)/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-3-19(18-12-8-5-9-13-18)21-20-16(2)14-15-17-10-6-4-7-11-17/h4-16,19-20H,3H2,1-2H3/b15-14+/t16-,19-/m1/s1
InChIKeyMPTLFYKUFQXOJN-MABPENCRSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2R)-4-phenyl-N-[(1R)-1-phenylpropoxy]but-3-en-2-amine?
The IUPAC name of (E,2R)-4-phenyl-N-[(1R)-1-phenylpropoxy]but-3-en-2-amine (CID 134870506) is (E,2R)-4-phenyl-N-[(1R)-1-phenylpropoxy]but-3-en-2-amine.
What is the SMILES notation for (E,2R)-4-phenyl-N-[(1R)-1-phenylpropoxy]but-3-en-2-amine?
The canonical SMILES for (E,2R)-4-phenyl-N-[(1R)-1-phenylpropoxy]but-3-en-2-amine is CC[C@@H](ON[C@H](C)/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E,2R)-4-phenyl-N-[(1R)-1-phenylpropoxy]but-3-en-2-amine?
The InChIKey is MPTLFYKUFQXOJN-MABPENCRSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-19(18-12-8-5-9-13-18)21-20-16(2)14-15-17-10-6-4-7-11-17/h4-16,19-20H,3H2,1-2H3/b15-14+/t16-,19-/m1/s1.
What are the key properties of (E,2R)-4-phenyl-N-[(1R)-1-phenylpropoxy]but-3-en-2-amine?
(E,2R)-4-phenyl-N-[(1R)-1-phenylpropoxy]but-3-en-2-amine has a molecular weight of 281.40 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-4-phenyl-N-[(1R)-1-phenylpropoxy]but-3-en-2-amine is sourced from PubChem (CID 134870506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).