1-diphenylphosphanyl-N,N-dimethylpropan-2-amine

C17H22NP — CID 10972379

IUPAC1-diphenylphosphanyl-N,N-dimethylpropan-2-amine
SMILESCC(CP(c1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C17H22NP/c1-15(18(2)3)14-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3
InChIKeyUWEBDCWURVZJOK-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.07
Rot. Bonds5

About 1-diphenylphosphanyl-N,N-dimethylpropan-2-amine

1-diphenylphosphanyl-N,N-dimethylpropan-2-amine (PubChem CID 10972379) has the molecular formula C17H22NP and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-diphenylphosphanyl-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-diphenylphosphanyl-N,N-dimethylpropan-2-amine
PubChem CID10972379
Molecular FormulaC17H22NP
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name1-diphenylphosphanyl-N,N-dimethylpropan-2-amine
SMILESCC(CP(c1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C17H22NP/c1-15(18(2)3)14-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3
InChIKeyUWEBDCWURVZJOK-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.07
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 1-diphenylphosphanyl-N,N-dimethylpropan-2-amine?
The IUPAC name of 1-diphenylphosphanyl-N,N-dimethylpropan-2-amine (CID 10972379) is 1-diphenylphosphanyl-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 1-diphenylphosphanyl-N,N-dimethylpropan-2-amine?
The canonical SMILES for 1-diphenylphosphanyl-N,N-dimethylpropan-2-amine is CC(CP(c1ccccc1)c1ccccc1)N(C)C.
What is the InChIKey of 1-diphenylphosphanyl-N,N-dimethylpropan-2-amine?
The InChIKey is UWEBDCWURVZJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22NP/c1-15(18(2)3)14-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3.
What are the key properties of 1-diphenylphosphanyl-N,N-dimethylpropan-2-amine?
1-diphenylphosphanyl-N,N-dimethylpropan-2-amine has a molecular weight of 271.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphanyl-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 10972379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).