3-[1-[4-(trifluoromethyl)anilino]ethyl]aniline

C15H15F3N2 — CID 62649270

IUPAC3-[1-[4-(trifluoromethyl)anilino]ethyl]aniline
SMILESCC(Nc1ccc(C(F)(F)F)cc1)c1cccc(N)c1
InChIInChI=1S/C15H15F3N2/c1-10(11-3-2-4-13(19)9-11)20-14-7-5-12(6-8-14)15(16,17)18/h2-10,20H,19H2,1H3
InChIKeyAOPVKCLMPWNDCH-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.46
Rot. Bonds3

About 3-[1-[4-(trifluoromethyl)anilino]ethyl]aniline

3-[1-[4-(trifluoromethyl)anilino]ethyl]aniline (PubChem CID 62649270) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-[1-[4-(trifluoromethyl)anilino]ethyl]aniline.

Molecular Properties

Compound Name3-[1-[4-(trifluoromethyl)anilino]ethyl]aniline
PubChem CID62649270
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name3-[1-[4-(trifluoromethyl)anilino]ethyl]aniline
SMILESCC(Nc1ccc(C(F)(F)F)cc1)c1cccc(N)c1
InChIInChI=1S/C15H15F3N2/c1-10(11-3-2-4-13(19)9-11)20-14-7-5-12(6-8-14)15(16,17)18/h2-10,20H,19H2,1H3
InChIKeyAOPVKCLMPWNDCH-UHFFFAOYSA-N
XLogP4.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43110480
4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43104527
N-[1-(3-aminophenyl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114450019
3-chloro-4-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107164
3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107070
N-[1-(3-aminophenyl)ethyl]-5-bromo-3-(trifluoromethyl)pyridin-2-amine
CID 106796671
4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine
CID 28902579
3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine
CID 43524021
3-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)aniline
CID 65491388
N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)aniline
CID 43192853
1,1,1,3,3,3-hexafluoro-2-[4-(1-phenylethylamino)phenyl]propan-2-ol
CID 20792423
N-[1-(3-aminophenyl)ethyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309035

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(trifluoromethyl)anilino]ethyl]aniline?
The IUPAC name of 3-[1-[4-(trifluoromethyl)anilino]ethyl]aniline (CID 62649270) is 3-[1-[4-(trifluoromethyl)anilino]ethyl]aniline.
What is the SMILES notation for 3-[1-[4-(trifluoromethyl)anilino]ethyl]aniline?
The canonical SMILES for 3-[1-[4-(trifluoromethyl)anilino]ethyl]aniline is CC(Nc1ccc(C(F)(F)F)cc1)c1cccc(N)c1.
What is the InChIKey of 3-[1-[4-(trifluoromethyl)anilino]ethyl]aniline?
The InChIKey is AOPVKCLMPWNDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-10(11-3-2-4-13(19)9-11)20-14-7-5-12(6-8-14)15(16,17)18/h2-10,20H,19H2,1H3.
What are the key properties of 3-[1-[4-(trifluoromethyl)anilino]ethyl]aniline?
3-[1-[4-(trifluoromethyl)anilino]ethyl]aniline has a molecular weight of 280.29 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(trifluoromethyl)anilino]ethyl]aniline is sourced from PubChem (CID 62649270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).