(2R,5R)-N-diethylphosphanyl-N-methyl-2,5-diphenylphospholan-1-amine

C21H29NP2 — CID 134343988

IUPAC(2R,5R)-N-diethylphosphanyl-N-methyl-2,5-diphenylphospholan-1-amine
SMILESCCP(CC)N(C)P1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C21H29NP2/c1-4-23(5-2)22(3)24-20(18-12-8-6-9-13-18)16-17-21(24)19-14-10-7-11-15-19/h6-15,20-21H,4-5,16-17H2,1-3H3/t20-,21-/m1/s1
InChIKeyIINJBOTYTUOTTE-NHCUHLMSSA-N
MW357.42 g/mol
LogP7.03
Rot. Bonds6

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

(2R,5R)-N-diethylphosphanyl-N-methyl-2,5-diphenylphospholan-1-amine (PubChem CID 134343988) has the molecular formula C21H29NP2 and a molecular weight of 357.42 g/mol. Its IUPAC name is (2R,5R)-N-diethylphosphanyl-N-methyl-2,5-diphenylphospholan-1-amine.

Molecular Properties

Compound Name(2R,5R)-N-diethylphosphanyl-N-methyl-2,5-diphenylphospholan-1-amine
PubChem CID134343988
Molecular FormulaC21H29NP2
Molecular Weight357.42 g/mol
Exact Mass357.18
IUPAC Name(2R,5R)-N-diethylphosphanyl-N-methyl-2,5-diphenylphospholan-1-amine
SMILESCCP(CC)N(C)P1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C21H29NP2/c1-4-23(5-2)22(3)24-20(18-12-8-6-9-13-18)16-17-21(24)19-14-10-7-11-15-19/h6-15,20-21H,4-5,16-17H2,1-3H3/t20-,21-/m1/s1
InChIKeyIINJBOTYTUOTTE-NHCUHLMSSA-N
XLogP7.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.42
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-N-diethylphosphanyl-N-methyl-2,5-diphenylphospholan-1-amine?
The IUPAC name of (2R,5R)-N-diethylphosphanyl-N-methyl-2,5-diphenylphospholan-1-amine (CID 134343988) is (2R,5R)-N-diethylphosphanyl-N-methyl-2,5-diphenylphospholan-1-amine.
What is the SMILES notation for (2R,5R)-N-diethylphosphanyl-N-methyl-2,5-diphenylphospholan-1-amine?
The canonical SMILES for (2R,5R)-N-diethylphosphanyl-N-methyl-2,5-diphenylphospholan-1-amine is CCP(CC)N(C)P1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1.
What is the InChIKey of (2R,5R)-N-diethylphosphanyl-N-methyl-2,5-diphenylphospholan-1-amine?
The InChIKey is IINJBOTYTUOTTE-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H29NP2/c1-4-23(5-2)22(3)24-20(18-12-8-6-9-13-18)16-17-21(24)19-14-10-7-11-15-19/h6-15,20-21H,4-5,16-17H2,1-3H3/t20-,21-/m1/s1.
What are the key properties of (2R,5R)-N-diethylphosphanyl-N-methyl-2,5-diphenylphospholan-1-amine?
(2R,5R)-N-diethylphosphanyl-N-methyl-2,5-diphenylphospholan-1-amine has a molecular weight of 357.42 g/mol, XLogP of 7.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-N-diethylphosphanyl-N-methyl-2,5-diphenylphospholan-1-amine is sourced from PubChem (CID 134343988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).