(1R)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine

C21H22NOP — CID 11404900

IUPAC(1R)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@@H](C)NP(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H22NOP/c1-17-13-15-19(16-14-17)18(2)22-24(23,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18H,1-2H3,(H,22,23)/t18-/m1/s1
InChIKeyTVNUHJHYMDNSRE-GOSISDBHSA-N
MW335.39 g/mol
LogP4.57
Rot. Bonds5

About (1R)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine

(1R)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine (PubChem CID 11404900) has the molecular formula C21H22NOP and a molecular weight of 335.39 g/mol. Its IUPAC name is (1R)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine
PubChem CID11404900
Molecular FormulaC21H22NOP
Molecular Weight335.39 g/mol
Exact Mass335.14
IUPAC Name(1R)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@@H](C)NP(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H22NOP/c1-17-13-15-19(16-14-17)18(2)22-24(23,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18H,1-2H3,(H,22,23)/t18-/m1/s1
InChIKeyTVNUHJHYMDNSRE-GOSISDBHSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
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 (1R)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine (CID 11404900) is (1R)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine is Cc1ccc([C@@H](C)NP(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (1R)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine?
The InChIKey is TVNUHJHYMDNSRE-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22NOP/c1-17-13-15-19(16-14-17)18(2)22-24(23,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18H,1-2H3,(H,22,23)/t18-/m1/s1.
What are the key properties of (1R)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine?
(1R)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine has a molecular weight of 335.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 11404900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).