N,N-bis(diphenylphosphanyl)-1-phenylethanamine

C32H29NP2 — CID 633445

IUPACN,N-bis(diphenylphosphanyl)-1-phenylethanamine
SMILESCC(c1ccccc1)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H29NP2/c1-27(28-17-7-2-8-18-28)33(34(29-19-9-3-10-20-29)30-21-11-4-12-22-30)35(31-23-13-5-14-24-31)32-25-15-6-16-26-32/h2-27H,1H3
InChIKeyGYHSCFVRAMOHIY-UHFFFAOYSA-N
MW489.54 g/mol
LogP7.15
Rot. Bonds8

About N,N-bis(diphenylphosphanyl)-1-phenylethanamine

N,N-bis(diphenylphosphanyl)-1-phenylethanamine (PubChem CID 633445) has the molecular formula C32H29NP2 and a molecular weight of 489.54 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanyl)-1-phenylethanamine.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanyl)-1-phenylethanamine
PubChem CID633445
Molecular FormulaC32H29NP2
Molecular Weight489.54 g/mol
Exact Mass489.18
IUPAC NameN,N-bis(diphenylphosphanyl)-1-phenylethanamine
SMILESCC(c1ccccc1)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H29NP2/c1-27(28-17-7-2-8-18-28)33(34(29-19-9-3-10-20-29)30-21-11-4-12-22-30)35(31-23-13-5-14-24-31)32-25-15-6-16-26-32/h2-27H,1H3
InChIKeyGYHSCFVRAMOHIY-UHFFFAOYSA-N
XLogP7.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.54
LogP ≤ 57.15
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 N,N-bis(diphenylphosphanyl)-1-phenylethanamine?
The IUPAC name of N,N-bis(diphenylphosphanyl)-1-phenylethanamine (CID 633445) is N,N-bis(diphenylphosphanyl)-1-phenylethanamine.
What is the SMILES notation for N,N-bis(diphenylphosphanyl)-1-phenylethanamine?
The canonical SMILES for N,N-bis(diphenylphosphanyl)-1-phenylethanamine is CC(c1ccccc1)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-bis(diphenylphosphanyl)-1-phenylethanamine?
The InChIKey is GYHSCFVRAMOHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NP2/c1-27(28-17-7-2-8-18-28)33(34(29-19-9-3-10-20-29)30-21-11-4-12-22-30)35(31-23-13-5-14-24-31)32-25-15-6-16-26-32/h2-27H,1H3.
What are the key properties of N,N-bis(diphenylphosphanyl)-1-phenylethanamine?
N,N-bis(diphenylphosphanyl)-1-phenylethanamine has a molecular weight of 489.54 g/mol, XLogP of 7.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanyl)-1-phenylethanamine is sourced from PubChem (CID 633445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).