(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine

C20H26NP — CID 134344024

IUPAC(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine
SMILESCCCCNP1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C20H26NP/c1-2-3-16-21-22-19(17-10-6-4-7-11-17)14-15-20(22)18-12-8-5-9-13-18/h4-13,19-21H,2-3,14-16H2,1H3/t19-,20-/m1/s1
InChIKeyRAOYAAJVQCMFAP-WOJBJXKFSA-N
MW311.41 g/mol
LogP6.05
Rot. Bonds6

About (2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine

(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine (PubChem CID 134344024) has the molecular formula C20H26NP and a molecular weight of 311.41 g/mol. Its IUPAC name is (2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine.

Molecular Properties

Compound Name(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine
PubChem CID134344024
Molecular FormulaC20H26NP
Molecular Weight311.41 g/mol
Exact Mass311.18
IUPAC Name(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine
SMILESCCCCNP1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C20H26NP/c1-2-3-16-21-22-19(17-10-6-4-7-11-17)14-15-20(22)18-12-8-5-9-13-18/h4-13,19-21H,2-3,14-16H2,1H3/t19-,20-/m1/s1
InChIKeyRAOYAAJVQCMFAP-WOJBJXKFSA-N
XLogP6.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.41
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine?
The IUPAC name of (2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine (CID 134344024) is (2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine.
What is the SMILES notation for (2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine?
The canonical SMILES for (2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine is CCCCNP1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1.
What is the InChIKey of (2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine?
The InChIKey is RAOYAAJVQCMFAP-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H26NP/c1-2-3-16-21-22-19(17-10-6-4-7-11-17)14-15-20(22)18-12-8-5-9-13-18/h4-13,19-21H,2-3,14-16H2,1H3/t19-,20-/m1/s1.
What are the key properties of (2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine?
(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine has a molecular weight of 311.41 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine is sourced from PubChem (CID 134344024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).