N-[2-(2,4-dichlorophenyl)ethyl]-4-(trifluoromethyl)aniline

C15H12Cl2F3N — CID 63536432

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2F3N/c16-12-4-1-10(14(17)9-12)7-8-21-13-5-2-11(3-6-13)15(18,19)20/h1-6,9,21H,7-8H2
InChIKeyFKZHHYSCZFRRSH-UHFFFAOYSA-N
MW334.17 g/mol
LogP5.67
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)ethyl]-4-(trifluoromethyl)aniline

N-[2-(2,4-dichlorophenyl)ethyl]-4-(trifluoromethyl)aniline (PubChem CID 63536432) has the molecular formula C15H12Cl2F3N and a molecular weight of 334.17 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-4-(trifluoromethyl)aniline
PubChem CID63536432
Molecular FormulaC15H12Cl2F3N
Molecular Weight334.17 g/mol
Exact Mass333.03
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2F3N/c16-12-4-1-10(14(17)9-12)7-8-21-13-5-2-11(3-6-13)15(18,19)20/h1-6,9,21H,7-8H2
InChIKeyFKZHHYSCZFRRSH-UHFFFAOYSA-N
XLogP5.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.17
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-aminoethyl)-N-[2-(2,4-dichlorophenyl)ethyl]aniline
CID 130243936
N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide
CID 112985739
N-[2-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304676
4-[2-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzonitrile
CID 115367084
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109040864
N-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-3-nitroaniline
CID 63536591
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
N-[2-(2,5-dichlorophenyl)ethyl]aniline
CID 63952494
1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885487
N-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine
CID 65305971
4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 78929904

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-4-(trifluoromethyl)aniline (CID 63536432) is N-[2-(2,4-dichlorophenyl)ethyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NCCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-4-(trifluoromethyl)aniline?
The InChIKey is FKZHHYSCZFRRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3N/c16-12-4-1-10(14(17)9-12)7-8-21-13-5-2-11(3-6-13)15(18,19)20/h1-6,9,21H,7-8H2.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-4-(trifluoromethyl)aniline?
N-[2-(2,4-dichlorophenyl)ethyl]-4-(trifluoromethyl)aniline has a molecular weight of 334.17 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 63536432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).