naphthalene;(4-phosphanylphenyl)methanamine

C17H18NP — CID 174862776

IUPACnaphthalene;(4-phosphanylphenyl)methanamine
SMILESNCc1ccc(P)cc1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C7H10NP/c1-2-6-10-8-4-3-7-9(10)5-1;8-5-6-1-3-7(9)4-2-6/h1-8H;1-4H,5,8-9H2
InChIKeyWZIHVIAAURJQOP-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.49
Rot. Bonds1

About naphthalene;(4-phosphanylphenyl)methanamine

naphthalene;(4-phosphanylphenyl)methanamine (PubChem CID 174862776) has the molecular formula C17H18NP and a molecular weight of 267.31 g/mol. Its IUPAC name is naphthalene;(4-phosphanylphenyl)methanamine.

Molecular Properties

Compound Namenaphthalene;(4-phosphanylphenyl)methanamine
PubChem CID174862776
Molecular FormulaC17H18NP
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Namenaphthalene;(4-phosphanylphenyl)methanamine
SMILESNCc1ccc(P)cc1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C7H10NP/c1-2-6-10-8-4-3-7-9(10)5-1;8-5-6-1-3-7(9)4-2-6/h1-8H;1-4H,5,8-9H2
InChIKeyWZIHVIAAURJQOP-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
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 naphthalene;(4-phosphanylphenyl)methanamine?
The IUPAC name of naphthalene;(4-phosphanylphenyl)methanamine (CID 174862776) is naphthalene;(4-phosphanylphenyl)methanamine.
What is the SMILES notation for naphthalene;(4-phosphanylphenyl)methanamine?
The canonical SMILES for naphthalene;(4-phosphanylphenyl)methanamine is NCc1ccc(P)cc1.c1ccc2ccccc2c1.
What is the InChIKey of naphthalene;(4-phosphanylphenyl)methanamine?
The InChIKey is WZIHVIAAURJQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C7H10NP/c1-2-6-10-8-4-3-7-9(10)5-1;8-5-6-1-3-7(9)4-2-6/h1-8H;1-4H,5,8-9H2.
What are the key properties of naphthalene;(4-phosphanylphenyl)methanamine?
naphthalene;(4-phosphanylphenyl)methanamine has a molecular weight of 267.31 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene;(4-phosphanylphenyl)methanamine is sourced from PubChem (CID 174862776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).