2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline

C9H12F2NP — CID 143122644

IUPAC2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline
SMILESCc1cc(C)c(N)c(C(F)(F)P)c1
InChIInChI=1S/C9H12F2NP/c1-5-3-6(2)8(12)7(4-5)9(10,11)13/h3-4H,12-13H2,1-2H3
InChIKeyXMEYDYHWKYIXRF-UHFFFAOYSA-N
MW203.17 g/mol
LogP2.81
Rot. Bonds1

About 2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline

2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline (PubChem CID 143122644) has the molecular formula C9H12F2NP and a molecular weight of 203.17 g/mol. Its IUPAC name is 2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline.

Molecular Properties

Compound Name2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline
PubChem CID143122644
Molecular FormulaC9H12F2NP
Molecular Weight203.17 g/mol
Exact Mass203.07
IUPAC Name2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline
SMILESCc1cc(C)c(N)c(C(F)(F)P)c1
InChIInChI=1S/C9H12F2NP/c1-5-3-6(2)8(12)7(4-5)9(10,11)13/h3-4H,12-13H2,1-2H3
InChIKeyXMEYDYHWKYIXRF-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 52.81
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'}

Analyze 2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[difluoro(phosphanyl)methyl]-4-methyl-6-(trifluoromethyl)aniline
CID 143122125
4-methyl-2,6-bis(trifluoromethyl)aniline
CID 58782199
cobalt;2,4,6-trimethylaniline
CID 159454360
3-[difluoro(phosphanyl)methyl]-2-fluoro-6-methylaniline
CID 176942392
3,5-dimethylaniline;2,4,6-trimethylaniline
CID 159725455
2,4,6-tritert-butylaniline;2,4,6-trimethylaniline
CID 67732973
2-chloro-6-[difluoro(phosphanyl)methyl]-N,4-dimethylaniline
CID 143122501
2,6-dimethyl-4-(trifluoromethyl)aniline;methane
CID 160577208
4-methoxy-2-methyl-6-(trifluoromethyl)aniline
CID 19842533
5-methyl-2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-1,3-bis(trifluoromethyl)benzene
CID 21350863
N,N-dideuterio-2,4,6-trimethylaniline
CID 138396120
2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline
CID 18699529

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline?
The IUPAC name of 2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline (CID 143122644) is 2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline.
What is the SMILES notation for 2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline?
The canonical SMILES for 2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline is Cc1cc(C)c(N)c(C(F)(F)P)c1.
What is the InChIKey of 2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline?
The InChIKey is XMEYDYHWKYIXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2NP/c1-5-3-6(2)8(12)7(4-5)9(10,11)13/h3-4H,12-13H2,1-2H3.
What are the key properties of 2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline?
2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline has a molecular weight of 203.17 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline is sourced from PubChem (CID 143122644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).