2,3-difluoro-4-[2-(4-methylphenyl)ethyl]aniline

C15H15F2N — CID 142384590

IUPAC2,3-difluoro-4-[2-(4-methylphenyl)ethyl]aniline
SMILESCc1ccc(CCc2ccc(N)c(F)c2F)cc1
InChIInChI=1S/C15H15F2N/c1-10-2-4-11(5-3-10)6-7-12-8-9-13(18)15(17)14(12)16/h2-5,8-9H,6-7,18H2,1H3
InChIKeyZYARPMROELVPLP-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.64
Rot. Bonds3

About 2,3-difluoro-4-[2-(4-methylphenyl)ethyl]aniline

2,3-difluoro-4-[2-(4-methylphenyl)ethyl]aniline (PubChem CID 142384590) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 2,3-difluoro-4-[2-(4-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,3-difluoro-4-[2-(4-methylphenyl)ethyl]aniline
PubChem CID142384590
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2,3-difluoro-4-[2-(4-methylphenyl)ethyl]aniline
SMILESCc1ccc(CCc2ccc(N)c(F)c2F)cc1
InChIInChI=1S/C15H15F2N/c1-10-2-4-11(5-3-10)6-7-12-8-9-13(18)15(17)14(12)16/h2-5,8-9H,6-7,18H2,1H3
InChIKeyZYARPMROELVPLP-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.64
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

1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline
CID 58021964
4-(3-aminopropyl)-2,3-difluoroaniline
CID 55254325
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene
CID 22892261
2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene
CID 59876774
1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene
CID 134273625
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
2,3-difluoro-1-[2-fluoro-4-[2-(4-methylphenyl)ethyl]-3-(trifluoromethyl)phenyl]-4-[2-(4-hexylphenyl)ethyl]benzene
CID 154547460
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627
2,3-difluoro-4-methylaniline;ethane
CID 145013768
6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene
CID 139876364

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[2-(4-methylphenyl)ethyl]aniline?
The IUPAC name of 2,3-difluoro-4-[2-(4-methylphenyl)ethyl]aniline (CID 142384590) is 2,3-difluoro-4-[2-(4-methylphenyl)ethyl]aniline.
What is the SMILES notation for 2,3-difluoro-4-[2-(4-methylphenyl)ethyl]aniline?
The canonical SMILES for 2,3-difluoro-4-[2-(4-methylphenyl)ethyl]aniline is Cc1ccc(CCc2ccc(N)c(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-4-[2-(4-methylphenyl)ethyl]aniline?
The InChIKey is ZYARPMROELVPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-10-2-4-11(5-3-10)6-7-12-8-9-13(18)15(17)14(12)16/h2-5,8-9H,6-7,18H2,1H3.
What are the key properties of 2,3-difluoro-4-[2-(4-methylphenyl)ethyl]aniline?
2,3-difluoro-4-[2-(4-methylphenyl)ethyl]aniline has a molecular weight of 247.29 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[2-(4-methylphenyl)ethyl]aniline is sourced from PubChem (CID 142384590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).