2-phenyl-6-phosphanylaniline

C12H12NP — CID 149253059

IUPAC2-phenyl-6-phosphanylaniline
SMILESNc1c(P)cccc1-c1ccccc1
InChIInChI=1S/C12H12NP/c13-12-10(7-4-8-11(12)14)9-5-2-1-3-6-9/h1-8H,13-14H2
InChIKeyIZYSCZJUZSNJFO-UHFFFAOYSA-N
MW201.21 g/mol
LogP2.44
Rot. Bonds1

About 2-phenyl-6-phosphanylaniline

2-phenyl-6-phosphanylaniline (PubChem CID 149253059) has the molecular formula C12H12NP and a molecular weight of 201.21 g/mol. Its IUPAC name is 2-phenyl-6-phosphanylaniline.

Molecular Properties

Compound Name2-phenyl-6-phosphanylaniline
PubChem CID149253059
Molecular FormulaC12H12NP
Molecular Weight201.21 g/mol
Exact Mass201.07
IUPAC Name2-phenyl-6-phosphanylaniline
SMILESNc1c(P)cccc1-c1ccccc1
InChIInChI=1S/C12H12NP/c13-12-10(7-4-8-11(12)14)9-5-2-1-3-6-9/h1-8H,13-14H2
InChIKeyIZYSCZJUZSNJFO-UHFFFAOYSA-N
XLogP2.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-phenylbenzene-1,2-diamine
CID 18968019
(2-chloro-3-phenylphenyl)phosphane
CID 141494780
3-phenylbenzene-1,2-diamine;propane
CID 70378466
2-(3-methylphenyl)-6-phenylaniline
CID 150906011
3-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzene-1,2-diamine
CID 121301752
2-ethenyl-6-phenylaniline
CID 162513361
2-[2-(aminomethyl)phenyl]-6-phenylaniline
CID 151108542
boric acid;2-ethyl-6-phenylaniline;methanol
CID 175445116
sodium;1-N,1-N-dimethyl-3-phenylbenzene-1,2-diamine;hydride
CID 174417250
hexane;3-phenylbenzene-1,2-diamine
CID 175068745
2-phenylaniline;hydrochloride
CID 5284347
palladium(2+);2-phenylaniline
CID 175718665

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-phosphanylaniline?
The IUPAC name of 2-phenyl-6-phosphanylaniline (CID 149253059) is 2-phenyl-6-phosphanylaniline.
What is the SMILES notation for 2-phenyl-6-phosphanylaniline?
The canonical SMILES for 2-phenyl-6-phosphanylaniline is Nc1c(P)cccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-6-phosphanylaniline?
The InChIKey is IZYSCZJUZSNJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12NP/c13-12-10(7-4-8-11(12)14)9-5-2-1-3-6-9/h1-8H,13-14H2.
What are the key properties of 2-phenyl-6-phosphanylaniline?
2-phenyl-6-phosphanylaniline has a molecular weight of 201.21 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-phosphanylaniline is sourced from PubChem (CID 149253059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).