N-methyl-2-phosphanylaniline

C7H10NP — CID 12828029

IUPACN-methyl-2-phosphanylaniline
SMILESCNc1ccccc1P
InChIInChI=1S/C7H10NP/c1-8-6-4-2-3-5-7(6)9/h2-5,8H,9H2,1H3
InChIKeyLWYSGKKUZKMDBC-UHFFFAOYSA-N
MW139.14 g/mol
LogP1.23
Rot. Bonds1

About N-methyl-2-phosphanylaniline

N-methyl-2-phosphanylaniline (PubChem CID 12828029) has the molecular formula C7H10NP and a molecular weight of 139.14 g/mol. Its IUPAC name is N-methyl-2-phosphanylaniline.

Molecular Properties

Compound NameN-methyl-2-phosphanylaniline
PubChem CID12828029
Molecular FormulaC7H10NP
Molecular Weight139.14 g/mol
Exact Mass139.06
IUPAC NameN-methyl-2-phosphanylaniline
SMILESCNc1ccccc1P
InChIInChI=1S/C7H10NP/c1-8-6-4-2-3-5-7(6)9/h2-5,8H,9H2,1H3
InChIKeyLWYSGKKUZKMDBC-UHFFFAOYSA-N
XLogP1.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.14
LogP ≤ 51.23
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 N-methyl-2-phosphanylaniline?
The IUPAC name of N-methyl-2-phosphanylaniline (CID 12828029) is N-methyl-2-phosphanylaniline.
What is the SMILES notation for N-methyl-2-phosphanylaniline?
The canonical SMILES for N-methyl-2-phosphanylaniline is CNc1ccccc1P.
What is the InChIKey of N-methyl-2-phosphanylaniline?
The InChIKey is LWYSGKKUZKMDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NP/c1-8-6-4-2-3-5-7(6)9/h2-5,8H,9H2,1H3.
What are the key properties of N-methyl-2-phosphanylaniline?
N-methyl-2-phosphanylaniline has a molecular weight of 139.14 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phosphanylaniline is sourced from PubChem (CID 12828029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).