N,2-dimethyl-4-phosphanylaniline

C8H12NP — CID 155371449

IUPACN,2-dimethyl-4-phosphanylaniline
SMILESCNc1ccc(P)cc1C
InChIInChI=1S/C8H12NP/c1-6-5-7(10)3-4-8(6)9-2/h3-5,9H,10H2,1-2H3
InChIKeyYHXAOMNITPPKFG-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.54
Rot. Bonds1

About N,2-dimethyl-4-phosphanylaniline

N,2-dimethyl-4-phosphanylaniline (PubChem CID 155371449) has the molecular formula C8H12NP and a molecular weight of 153.16 g/mol. Its IUPAC name is N,2-dimethyl-4-phosphanylaniline.

Molecular Properties

Compound NameN,2-dimethyl-4-phosphanylaniline
PubChem CID155371449
Molecular FormulaC8H12NP
Molecular Weight153.16 g/mol
Exact Mass153.07
IUPAC NameN,2-dimethyl-4-phosphanylaniline
SMILESCNc1ccc(P)cc1C
InChIInChI=1S/C8H12NP/c1-6-5-7(10)3-4-8(6)9-2/h3-5,9H,10H2,1-2H3
InChIKeyYHXAOMNITPPKFG-UHFFFAOYSA-N
XLogP1.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.54
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,2-dimethyl-4-phosphanylaniline?
The IUPAC name of N,2-dimethyl-4-phosphanylaniline (CID 155371449) is N,2-dimethyl-4-phosphanylaniline.
What is the SMILES notation for N,2-dimethyl-4-phosphanylaniline?
The canonical SMILES for N,2-dimethyl-4-phosphanylaniline is CNc1ccc(P)cc1C.
What is the InChIKey of N,2-dimethyl-4-phosphanylaniline?
The InChIKey is YHXAOMNITPPKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NP/c1-6-5-7(10)3-4-8(6)9-2/h3-5,9H,10H2,1-2H3.
What are the key properties of N,2-dimethyl-4-phosphanylaniline?
N,2-dimethyl-4-phosphanylaniline has a molecular weight of 153.16 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-phosphanylaniline is sourced from PubChem (CID 155371449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).