(2S,4R)-4-phenyl-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C25H27N — CID 10382704

IUPAC(2S,4R)-4-phenyl-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESc1ccc(CCCN[C@@H]2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C25H27N/c1-3-10-20(11-4-1)12-9-17-26-23-18-22-15-7-8-16-24(22)25(19-23)21-13-5-2-6-14-21/h1-8,10-11,13-16,23,25-26H,9,12,17-19H2/t23-,25-/m1/s1
InChIKeyDLHHIMFCIUQZER-ILBGXUMGSA-N
MW341.50 g/mol
LogP5.36
Rot. Bonds6

About (2S,4R)-4-phenyl-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine

(2S,4R)-4-phenyl-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 10382704) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is (2S,4R)-4-phenyl-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S,4R)-4-phenyl-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID10382704
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC Name(2S,4R)-4-phenyl-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESc1ccc(CCCN[C@@H]2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C25H27N/c1-3-10-20(11-4-1)12-9-17-26-23-18-22-15-7-8-16-24(22)25(19-23)21-13-5-2-6-14-21/h1-8,10-11,13-16,23,25-26H,9,12,17-19H2/t23-,25-/m1/s1
InChIKeyDLHHIMFCIUQZER-ILBGXUMGSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-phenyl-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S,4R)-4-phenyl-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 10382704) is (2S,4R)-4-phenyl-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S,4R)-4-phenyl-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S,4R)-4-phenyl-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is c1ccc(CCCN[C@@H]2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of (2S,4R)-4-phenyl-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is DLHHIMFCIUQZER-ILBGXUMGSA-N. The full InChI is InChI=1S/C25H27N/c1-3-10-20(11-4-1)12-9-17-26-23-18-22-15-7-8-16-24(22)25(19-23)21-13-5-2-6-14-21/h1-8,10-11,13-16,23,25-26H,9,12,17-19H2/t23-,25-/m1/s1.
What are the key properties of (2S,4R)-4-phenyl-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S,4R)-4-phenyl-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 341.50 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-phenyl-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 10382704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).