(2R)-N-benzyl-4-phenylmethoxy-1-(2,4,5-trifluorophenyl)butan-2-amine

C24H24F3NO — CID 57345386

IUPAC(2R)-N-benzyl-4-phenylmethoxy-1-(2,4,5-trifluorophenyl)butan-2-amine
SMILESFc1cc(F)c(C[C@H](CCOCc2ccccc2)NCc2ccccc2)cc1F
InChIInChI=1S/C24H24F3NO/c25-22-15-24(27)23(26)14-20(22)13-21(28-16-18-7-3-1-4-8-18)11-12-29-17-19-9-5-2-6-10-19/h1-10,14-15,21,28H,11-13,16-17H2/t21-/m0/s1
InChIKeyOINUXHHLSIDQQF-NRFANRHFSA-N
MW399.46 g/mol
LogP5.41
Rot. Bonds10

About (2R)-N-benzyl-4-phenylmethoxy-1-(2,4,5-trifluorophenyl)butan-2-amine

(2R)-N-benzyl-4-phenylmethoxy-1-(2,4,5-trifluorophenyl)butan-2-amine (PubChem CID 57345386) has the molecular formula C24H24F3NO and a molecular weight of 399.46 g/mol. Its IUPAC name is (2R)-N-benzyl-4-phenylmethoxy-1-(2,4,5-trifluorophenyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-N-benzyl-4-phenylmethoxy-1-(2,4,5-trifluorophenyl)butan-2-amine
PubChem CID57345386
Molecular FormulaC24H24F3NO
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name(2R)-N-benzyl-4-phenylmethoxy-1-(2,4,5-trifluorophenyl)butan-2-amine
SMILESFc1cc(F)c(C[C@H](CCOCc2ccccc2)NCc2ccccc2)cc1F
InChIInChI=1S/C24H24F3NO/c25-22-15-24(27)23(26)14-20(22)13-21(28-16-18-7-3-1-4-8-18)11-12-29-17-19-9-5-2-6-10-19/h1-10,14-15,21,28H,11-13,16-17H2/t21-/m0/s1
InChIKeyOINUXHHLSIDQQF-NRFANRHFSA-N
XLogP5.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.46
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-4-phenylmethoxy-1-(2,4,5-trifluorophenyl)butan-2-amine?
The IUPAC name of (2R)-N-benzyl-4-phenylmethoxy-1-(2,4,5-trifluorophenyl)butan-2-amine (CID 57345386) is (2R)-N-benzyl-4-phenylmethoxy-1-(2,4,5-trifluorophenyl)butan-2-amine.
What is the SMILES notation for (2R)-N-benzyl-4-phenylmethoxy-1-(2,4,5-trifluorophenyl)butan-2-amine?
The canonical SMILES for (2R)-N-benzyl-4-phenylmethoxy-1-(2,4,5-trifluorophenyl)butan-2-amine is Fc1cc(F)c(C[C@H](CCOCc2ccccc2)NCc2ccccc2)cc1F.
What is the InChIKey of (2R)-N-benzyl-4-phenylmethoxy-1-(2,4,5-trifluorophenyl)butan-2-amine?
The InChIKey is OINUXHHLSIDQQF-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24F3NO/c25-22-15-24(27)23(26)14-20(22)13-21(28-16-18-7-3-1-4-8-18)11-12-29-17-19-9-5-2-6-10-19/h1-10,14-15,21,28H,11-13,16-17H2/t21-/m0/s1.
What are the key properties of (2R)-N-benzyl-4-phenylmethoxy-1-(2,4,5-trifluorophenyl)butan-2-amine?
(2R)-N-benzyl-4-phenylmethoxy-1-(2,4,5-trifluorophenyl)butan-2-amine has a molecular weight of 399.46 g/mol, XLogP of 5.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-4-phenylmethoxy-1-(2,4,5-trifluorophenyl)butan-2-amine is sourced from PubChem (CID 57345386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).