N,N-diethyl-2,3-diphenylphosphiran-1-amine

C18H22NP — CID 14738776

IUPACN,N-diethyl-2,3-diphenylphosphiran-1-amine
SMILESCCN(CC)P1C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H22NP/c1-3-19(4-2)20-17(15-11-7-5-8-12-15)18(20)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3
InChIKeyCRTMUGJWPCLYOJ-UHFFFAOYSA-N
MW283.36 g/mol
LogP5.22
Rot. Bonds5

About N,N-diethyl-2,3-diphenylphosphiran-1-amine

N,N-diethyl-2,3-diphenylphosphiran-1-amine (PubChem CID 14738776) has the molecular formula C18H22NP and a molecular weight of 283.36 g/mol. Its IUPAC name is N,N-diethyl-2,3-diphenylphosphiran-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2,3-diphenylphosphiran-1-amine
PubChem CID14738776
Molecular FormulaC18H22NP
Molecular Weight283.36 g/mol
Exact Mass283.15
IUPAC NameN,N-diethyl-2,3-diphenylphosphiran-1-amine
SMILESCCN(CC)P1C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H22NP/c1-3-19(4-2)20-17(15-11-7-5-8-12-15)18(20)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3
InChIKeyCRTMUGJWPCLYOJ-UHFFFAOYSA-N
XLogP5.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.36
LogP ≤ 55.22
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-diethyl-2,3-diphenylphosphiran-1-amine?
The IUPAC name of N,N-diethyl-2,3-diphenylphosphiran-1-amine (CID 14738776) is N,N-diethyl-2,3-diphenylphosphiran-1-amine.
What is the SMILES notation for N,N-diethyl-2,3-diphenylphosphiran-1-amine?
The canonical SMILES for N,N-diethyl-2,3-diphenylphosphiran-1-amine is CCN(CC)P1C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of N,N-diethyl-2,3-diphenylphosphiran-1-amine?
The InChIKey is CRTMUGJWPCLYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NP/c1-3-19(4-2)20-17(15-11-7-5-8-12-15)18(20)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2,3-diphenylphosphiran-1-amine?
N,N-diethyl-2,3-diphenylphosphiran-1-amine has a molecular weight of 283.36 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,3-diphenylphosphiran-1-amine is sourced from PubChem (CID 14738776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).