N-(3,5-difluorophenyl)-2-methoxy-3-methylaniline

C14H13F2NO — CID 171920464

IUPACN-(3,5-difluorophenyl)-2-methoxy-3-methylaniline
SMILESCOc1c(C)cccc1Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H13F2NO/c1-9-4-3-5-13(14(9)18-2)17-12-7-10(15)6-11(16)8-12/h3-8,17H,1-2H3
InChIKeyVUMLSIFCNFPTJO-UHFFFAOYSA-N
MW249.26 g/mol
LogP4.03
Rot. Bonds3

About N-(3,5-difluorophenyl)-2-methoxy-3-methylaniline

N-(3,5-difluorophenyl)-2-methoxy-3-methylaniline (PubChem CID 171920464) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-methoxy-3-methylaniline.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-methoxy-3-methylaniline
PubChem CID171920464
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC NameN-(3,5-difluorophenyl)-2-methoxy-3-methylaniline
SMILESCOc1c(C)cccc1Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H13F2NO/c1-9-4-3-5-13(14(9)18-2)17-12-7-10(15)6-11(16)8-12/h3-8,17H,1-2H3
InChIKeyVUMLSIFCNFPTJO-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,5-difluorophenyl)-2-methoxy-3-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

3-fluoro-N-(3-fluorophenyl)-2-methoxyaniline
CID 175464323
N-(3,5-dimethoxyphenyl)-2,3-dimethoxyaniline
CID 171920076
N-(2-methoxy-3-methylphenyl)-1,3-benzodioxol-4-amine
CID 171920461
1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 171934003
N-(2-chlorophenyl)-3,5-difluoroaniline
CID 82536990
3-N-(3-fluoro-5-methylphenyl)-2-methylbenzene-1,3-diamine
CID 79048706
3-(aminomethyl)-5-fluoro-N-(2-methoxyphenyl)aniline
CID 170765592
3-(4-fluorophenyl)-N-(2-methoxy-3-methylphenyl)propanamide
CID 71104305
ethane;N-ethyl-2-methoxy-3-methylaniline;2-methylpropane
CID 143611271
5-fluoro-N-(3-fluorophenyl)-2-methoxyaniline
CID 82537168
2-[3-(2-hydroxyethylamino)-4-methoxy-5-methylanilino]ethanol;2-[3-(2-hydroxyethylamino)-2-methylanilino]ethanol
CID 68517296
2-(3,5-difluoroanilino)-4-methoxybenzonitrile
CID 81300164

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-methoxy-3-methylaniline?
The IUPAC name of N-(3,5-difluorophenyl)-2-methoxy-3-methylaniline (CID 171920464) is N-(3,5-difluorophenyl)-2-methoxy-3-methylaniline.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-methoxy-3-methylaniline?
The canonical SMILES for N-(3,5-difluorophenyl)-2-methoxy-3-methylaniline is COc1c(C)cccc1Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-methoxy-3-methylaniline?
The InChIKey is VUMLSIFCNFPTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-9-4-3-5-13(14(9)18-2)17-12-7-10(15)6-11(16)8-12/h3-8,17H,1-2H3.
What are the key properties of N-(3,5-difluorophenyl)-2-methoxy-3-methylaniline?
N-(3,5-difluorophenyl)-2-methoxy-3-methylaniline has a molecular weight of 249.26 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-methoxy-3-methylaniline is sourced from PubChem (CID 171920464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).