(1R)-N-dimethylphosphanyl-1-naphthalen-2-yl-N-[(1R)-1-naphthalen-2-ylethyl]ethanamine

C26H28NP — CID 71507787

IUPAC(1R)-N-dimethylphosphanyl-1-naphthalen-2-yl-N-[(1R)-1-naphthalen-2-ylethyl]ethanamine
SMILESC[C@H](c1ccc2ccccc2c1)N([C@H](C)c1ccc2ccccc2c1)P(C)C
InChIInChI=1S/C26H28NP/c1-19(23-15-13-21-9-5-7-11-25(21)17-23)27(28(3)4)20(2)24-16-14-22-10-6-8-12-26(22)18-24/h5-20H,1-4H3/t19-,20-/m1/s1
InChIKeySHQUMYAFTGFARS-WOJBJXKFSA-N
MW385.49 g/mol
LogP7.77
Rot. Bonds5

About (1R)-N-dimethylphosphanyl-1-naphthalen-2-yl-N-[(1R)-1-naphthalen-2-ylethyl]ethanamine

(1R)-N-dimethylphosphanyl-1-naphthalen-2-yl-N-[(1R)-1-naphthalen-2-ylethyl]ethanamine (PubChem CID 71507787) has the molecular formula C26H28NP and a molecular weight of 385.49 g/mol. Its IUPAC name is (1R)-N-dimethylphosphanyl-1-naphthalen-2-yl-N-[(1R)-1-naphthalen-2-ylethyl]ethanamine.

Molecular Properties

Compound Name(1R)-N-dimethylphosphanyl-1-naphthalen-2-yl-N-[(1R)-1-naphthalen-2-ylethyl]ethanamine
PubChem CID71507787
Molecular FormulaC26H28NP
Molecular Weight385.49 g/mol
Exact Mass385.20
IUPAC Name(1R)-N-dimethylphosphanyl-1-naphthalen-2-yl-N-[(1R)-1-naphthalen-2-ylethyl]ethanamine
SMILESC[C@H](c1ccc2ccccc2c1)N([C@H](C)c1ccc2ccccc2c1)P(C)C
InChIInChI=1S/C26H28NP/c1-19(23-15-13-21-9-5-7-11-25(21)17-23)27(28(3)4)20(2)24-16-14-22-10-6-8-12-26(22)18-24/h5-20H,1-4H3/t19-,20-/m1/s1
InChIKeySHQUMYAFTGFARS-WOJBJXKFSA-N
XLogP7.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-dimethylphosphanyl-1-naphthalen-2-yl-N-[(1R)-1-naphthalen-2-ylethyl]ethanamine?
The IUPAC name of (1R)-N-dimethylphosphanyl-1-naphthalen-2-yl-N-[(1R)-1-naphthalen-2-ylethyl]ethanamine (CID 71507787) is (1R)-N-dimethylphosphanyl-1-naphthalen-2-yl-N-[(1R)-1-naphthalen-2-ylethyl]ethanamine.
What is the SMILES notation for (1R)-N-dimethylphosphanyl-1-naphthalen-2-yl-N-[(1R)-1-naphthalen-2-ylethyl]ethanamine?
The canonical SMILES for (1R)-N-dimethylphosphanyl-1-naphthalen-2-yl-N-[(1R)-1-naphthalen-2-ylethyl]ethanamine is C[C@H](c1ccc2ccccc2c1)N([C@H](C)c1ccc2ccccc2c1)P(C)C.
What is the InChIKey of (1R)-N-dimethylphosphanyl-1-naphthalen-2-yl-N-[(1R)-1-naphthalen-2-ylethyl]ethanamine?
The InChIKey is SHQUMYAFTGFARS-WOJBJXKFSA-N. The full InChI is InChI=1S/C26H28NP/c1-19(23-15-13-21-9-5-7-11-25(21)17-23)27(28(3)4)20(2)24-16-14-22-10-6-8-12-26(22)18-24/h5-20H,1-4H3/t19-,20-/m1/s1.
What are the key properties of (1R)-N-dimethylphosphanyl-1-naphthalen-2-yl-N-[(1R)-1-naphthalen-2-ylethyl]ethanamine?
(1R)-N-dimethylphosphanyl-1-naphthalen-2-yl-N-[(1R)-1-naphthalen-2-ylethyl]ethanamine has a molecular weight of 385.49 g/mol, XLogP of 7.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-dimethylphosphanyl-1-naphthalen-2-yl-N-[(1R)-1-naphthalen-2-ylethyl]ethanamine is sourced from PubChem (CID 71507787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).