N-(4-fluorophenyl)-2-methyl-5-[2-(3-methylphenyl)ethyl]aniline

C22H22FN — CID 71021184

IUPACN-(4-fluorophenyl)-2-methyl-5-[2-(3-methylphenyl)ethyl]aniline
SMILESCc1cccc(CCc2ccc(C)c(Nc3ccc(F)cc3)c2)c1
InChIInChI=1S/C22H22FN/c1-16-4-3-5-18(14-16)8-9-19-7-6-17(2)22(15-19)24-21-12-10-20(23)11-13-21/h3-7,10-15,24H,8-9H2,1-2H3
InChIKeyAATDWTAALBETOJ-UHFFFAOYSA-N
MW319.42 g/mol
LogP5.97
Rot. Bonds5

About N-(4-fluorophenyl)-2-methyl-5-[2-(3-methylphenyl)ethyl]aniline

N-(4-fluorophenyl)-2-methyl-5-[2-(3-methylphenyl)ethyl]aniline (PubChem CID 71021184) has the molecular formula C22H22FN and a molecular weight of 319.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methyl-5-[2-(3-methylphenyl)ethyl]aniline.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methyl-5-[2-(3-methylphenyl)ethyl]aniline
PubChem CID71021184
Molecular FormulaC22H22FN
Molecular Weight319.42 g/mol
Exact Mass319.17
IUPAC NameN-(4-fluorophenyl)-2-methyl-5-[2-(3-methylphenyl)ethyl]aniline
SMILESCc1cccc(CCc2ccc(C)c(Nc3ccc(F)cc3)c2)c1
InChIInChI=1S/C22H22FN/c1-16-4-3-5-18(14-16)8-9-19-7-6-17(2)22(15-19)24-21-12-10-20(23)11-13-21/h3-7,10-15,24H,8-9H2,1-2H3
InChIKeyAATDWTAALBETOJ-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.42
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4-fluorophenyl)-2-methyl-5-[2-(3-methylphenyl)ethyl]aniline 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

4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline
CID 22960583
4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane
CID 90944409
N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62314975
N-[2-(4-fluorophenyl)ethyl]-3-methylaniline
CID 57041855
2-methyl-5-(2-phenylethyl)aniline;2-methyl-5-(2-phenylethyl)-N-(4-phenylphenyl)aniline
CID 159556825
2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide
CID 84505459
2-methyl-5-[2-(3-methylphenyl)ethyl]aniline
CID 143291717
N-[2-(4-fluorophenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 6468714
2-fluoro-N-(4-fluorophenyl)-5-methylaniline
CID 56637557
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113032051
5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine
CID 62314086
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methyl-5-[2-(3-methylphenyl)ethyl]aniline?
The IUPAC name of N-(4-fluorophenyl)-2-methyl-5-[2-(3-methylphenyl)ethyl]aniline (CID 71021184) is N-(4-fluorophenyl)-2-methyl-5-[2-(3-methylphenyl)ethyl]aniline.
What is the SMILES notation for N-(4-fluorophenyl)-2-methyl-5-[2-(3-methylphenyl)ethyl]aniline?
The canonical SMILES for N-(4-fluorophenyl)-2-methyl-5-[2-(3-methylphenyl)ethyl]aniline is Cc1cccc(CCc2ccc(C)c(Nc3ccc(F)cc3)c2)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-methyl-5-[2-(3-methylphenyl)ethyl]aniline?
The InChIKey is AATDWTAALBETOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN/c1-16-4-3-5-18(14-16)8-9-19-7-6-17(2)22(15-19)24-21-12-10-20(23)11-13-21/h3-7,10-15,24H,8-9H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-2-methyl-5-[2-(3-methylphenyl)ethyl]aniline?
N-(4-fluorophenyl)-2-methyl-5-[2-(3-methylphenyl)ethyl]aniline has a molecular weight of 319.42 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methyl-5-[2-(3-methylphenyl)ethyl]aniline is sourced from PubChem (CID 71021184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).