2-(3,5-difluorophenyl)-4-methylaniline

C13H11F2N — CID 61025824

IUPAC2-(3,5-difluorophenyl)-4-methylaniline
SMILESCc1ccc(N)c(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C13H11F2N/c1-8-2-3-13(16)12(4-8)9-5-10(14)7-11(15)6-9/h2-7H,16H2,1H3
InChIKeyUJPMMKBYAXZKSX-UHFFFAOYSA-N
MW219.23 g/mol
LogP3.52
Rot. Bonds1

About 2-(3,5-difluorophenyl)-4-methylaniline

2-(3,5-difluorophenyl)-4-methylaniline (PubChem CID 61025824) has the molecular formula C13H11F2N and a molecular weight of 219.23 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-4-methylaniline.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-4-methylaniline
PubChem CID61025824
Molecular FormulaC13H11F2N
Molecular Weight219.23 g/mol
Exact Mass219.09
IUPAC Name2-(3,5-difluorophenyl)-4-methylaniline
SMILESCc1ccc(N)c(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C13H11F2N/c1-8-2-3-13(16)12(4-8)9-5-10(14)7-11(15)6-9/h2-7H,16H2,1H3
InChIKeyUJPMMKBYAXZKSX-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-methylaniline;hydrochloride
CID 139976919
2-(2-fluorophenyl)-4-methylaniline
CID 62492091
2-[2-(3-fluorophenyl)-5-methylphenyl]aniline
CID 102219851
2-[2-(3,5-difluorophenyl)-4-methylphenyl]acetic acid
CID 172650229
2-(furan-3-yl)-4-methylaniline
CID 63949346
4-(2-fluoro-5-methylphenyl)-2-methylaniline
CID 61026096
2-(3-fluoro-2-methylphenyl)-4-methylaniline
CID 115502782
3-(2-amino-5-methylphenyl)-2-methylaniline
CID 68787486
2-(2,6-difluoro-4-methoxyphenyl)-4-methylaniline
CID 54912439
4-fluoro-2-(4-methoxy-3,5-dimethylphenyl)aniline
CID 83068852
(2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone
CID 116581444
5-[4-(2-amino-5-methylphenyl)-2-fluorophenyl]pyrazin-2-amine
CID 144679153

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-4-methylaniline?
The IUPAC name of 2-(3,5-difluorophenyl)-4-methylaniline (CID 61025824) is 2-(3,5-difluorophenyl)-4-methylaniline.
What is the SMILES notation for 2-(3,5-difluorophenyl)-4-methylaniline?
The canonical SMILES for 2-(3,5-difluorophenyl)-4-methylaniline is Cc1ccc(N)c(-c2cc(F)cc(F)c2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-4-methylaniline?
The InChIKey is UJPMMKBYAXZKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N/c1-8-2-3-13(16)12(4-8)9-5-10(14)7-11(15)6-9/h2-7H,16H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-4-methylaniline?
2-(3,5-difluorophenyl)-4-methylaniline has a molecular weight of 219.23 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-4-methylaniline is sourced from PubChem (CID 61025824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).