2,5-difluoro-4-methoxy-N-methylaniline

C8H9F2NO — CID 82648042

IUPAC2,5-difluoro-4-methoxy-N-methylaniline
SMILESCNc1cc(F)c(OC)cc1F
InChIInChI=1S/C8H9F2NO/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4,11H,1-2H3
InChIKeyXDJTWTCRKPHSHD-UHFFFAOYSA-N
MW173.16 g/mol
LogP2.02
Rot. Bonds2

About 2,5-difluoro-4-methoxy-N-methylaniline

2,5-difluoro-4-methoxy-N-methylaniline (PubChem CID 82648042) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 2,5-difluoro-4-methoxy-N-methylaniline.

Molecular Properties

Compound Name2,5-difluoro-4-methoxy-N-methylaniline
PubChem CID82648042
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name2,5-difluoro-4-methoxy-N-methylaniline
SMILESCNc1cc(F)c(OC)cc1F
InChIInChI=1S/C8H9F2NO/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4,11H,1-2H3
InChIKeyXDJTWTCRKPHSHD-UHFFFAOYSA-N
XLogP2.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2,5-difluoro-4-methoxy-N-methylaniline 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-ethenyl-5-fluoro-4-methoxy-N-methylaniline
CID 122519559
N-(chloromethyl)-2,5-difluoro-4-methoxyaniline
CID 115262759
2,5-difluoro-4-methoxy-N-(2,2,2-trifluoroethyl)aniline
CID 115257699
2-(2,5-difluoro-4-methoxyanilino)ethanol
CID 82648067
2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244554
1-N-(2,5-difluoro-4-methoxyphenyl)-3-methylbutane-1,3-diamine
CID 115200419
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
3-(2,5-difluoro-4-methoxyanilino)propane-1,2-diol
CID 115121931
2,5-difluoro-4-methoxyaniline
CID 45090681
3-fluoro-4-methoxy-N-methylaniline
CID 21307269
3-(2,5-difluoro-4-methoxyanilino)-2,2-dimethylpropanoic acid
CID 115136445
1-N-(2,5-difluoro-4-methoxyphenyl)-4-methylpentane-1,4-diamine
CID 115205186

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-methoxy-N-methylaniline?
The IUPAC name of 2,5-difluoro-4-methoxy-N-methylaniline (CID 82648042) is 2,5-difluoro-4-methoxy-N-methylaniline.
What is the SMILES notation for 2,5-difluoro-4-methoxy-N-methylaniline?
The canonical SMILES for 2,5-difluoro-4-methoxy-N-methylaniline is CNc1cc(F)c(OC)cc1F.
What is the InChIKey of 2,5-difluoro-4-methoxy-N-methylaniline?
The InChIKey is XDJTWTCRKPHSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4,11H,1-2H3.
What are the key properties of 2,5-difluoro-4-methoxy-N-methylaniline?
2,5-difluoro-4-methoxy-N-methylaniline has a molecular weight of 173.16 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-methoxy-N-methylaniline is sourced from PubChem (CID 82648042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).