8-diphenylphosphanyl-N-methyl-N-propan-2-ylnaphthalen-1-amine

C26H26NP — CID 102023770

IUPAC8-diphenylphosphanyl-N-methyl-N-propan-2-ylnaphthalen-1-amine
SMILESCC(C)N(C)c1cccc2cccc(P(c3ccccc3)c3ccccc3)c12
InChIInChI=1S/C26H26NP/c1-20(2)27(3)24-18-10-12-21-13-11-19-25(26(21)24)28(22-14-6-4-7-15-22)23-16-8-5-9-17-23/h4-20H,1-3H3
InChIKeyCEMYDQVMVXKMLR-UHFFFAOYSA-N
MW383.48 g/mol
LogP5.44
Rot. Bonds5

About 8-diphenylphosphanyl-N-methyl-N-propan-2-ylnaphthalen-1-amine

8-diphenylphosphanyl-N-methyl-N-propan-2-ylnaphthalen-1-amine (PubChem CID 102023770) has the molecular formula C26H26NP and a molecular weight of 383.48 g/mol. Its IUPAC name is 8-diphenylphosphanyl-N-methyl-N-propan-2-ylnaphthalen-1-amine.

Molecular Properties

Compound Name8-diphenylphosphanyl-N-methyl-N-propan-2-ylnaphthalen-1-amine
PubChem CID102023770
Molecular FormulaC26H26NP
Molecular Weight383.48 g/mol
Exact Mass383.18
IUPAC Name8-diphenylphosphanyl-N-methyl-N-propan-2-ylnaphthalen-1-amine
SMILESCC(C)N(C)c1cccc2cccc(P(c3ccccc3)c3ccccc3)c12
InChIInChI=1S/C26H26NP/c1-20(2)27(3)24-18-10-12-21-13-11-19-25(26(21)24)28(22-14-6-4-7-15-22)23-16-8-5-9-17-23/h4-20H,1-3H3
InChIKeyCEMYDQVMVXKMLR-UHFFFAOYSA-N
XLogP5.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 55.44
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 8-diphenylphosphanyl-N-methyl-N-propan-2-ylnaphthalen-1-amine?
The IUPAC name of 8-diphenylphosphanyl-N-methyl-N-propan-2-ylnaphthalen-1-amine (CID 102023770) is 8-diphenylphosphanyl-N-methyl-N-propan-2-ylnaphthalen-1-amine.
What is the SMILES notation for 8-diphenylphosphanyl-N-methyl-N-propan-2-ylnaphthalen-1-amine?
The canonical SMILES for 8-diphenylphosphanyl-N-methyl-N-propan-2-ylnaphthalen-1-amine is CC(C)N(C)c1cccc2cccc(P(c3ccccc3)c3ccccc3)c12.
What is the InChIKey of 8-diphenylphosphanyl-N-methyl-N-propan-2-ylnaphthalen-1-amine?
The InChIKey is CEMYDQVMVXKMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26NP/c1-20(2)27(3)24-18-10-12-21-13-11-19-25(26(21)24)28(22-14-6-4-7-15-22)23-16-8-5-9-17-23/h4-20H,1-3H3.
What are the key properties of 8-diphenylphosphanyl-N-methyl-N-propan-2-ylnaphthalen-1-amine?
8-diphenylphosphanyl-N-methyl-N-propan-2-ylnaphthalen-1-amine has a molecular weight of 383.48 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-diphenylphosphanyl-N-methyl-N-propan-2-ylnaphthalen-1-amine is sourced from PubChem (CID 102023770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).