2-[(E)-1-[2-(propylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-1-enyl]aniline

C25H25F3N2 — CID 142128521

IUPAC2-[(E)-1-[2-(propylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-1-enyl]aniline
SMILESCCCNc1ccccc1/C(=C/Cc1ccccc1C(F)(F)F)c1ccccc1N
InChIInChI=1S/C25H25F3N2/c1-2-17-30-24-14-8-5-11-21(24)19(20-10-4-7-13-23(20)29)16-15-18-9-3-6-12-22(18)25(26,27)28/h3-14,16,30H,2,15,17,29H2,1H3/b19-16+
InChIKeyYHPVNPMJDMQUEA-KNTRCKAVSA-N
MW410.48 g/mol
LogP6.78
Rot. Bonds7

About 2-[(E)-1-[2-(propylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-1-enyl]aniline

2-[(E)-1-[2-(propylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-1-enyl]aniline (PubChem CID 142128521) has the molecular formula C25H25F3N2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[(E)-1-[2-(propylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-1-enyl]aniline.

Molecular Properties

Compound Name2-[(E)-1-[2-(propylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-1-enyl]aniline
PubChem CID142128521
Molecular FormulaC25H25F3N2
Molecular Weight410.48 g/mol
Exact Mass410.20
IUPAC Name2-[(E)-1-[2-(propylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-1-enyl]aniline
SMILESCCCNc1ccccc1/C(=C/Cc1ccccc1C(F)(F)F)c1ccccc1N
InChIInChI=1S/C25H25F3N2/c1-2-17-30-24-14-8-5-11-21(24)19(20-10-4-7-13-23(20)29)16-15-18-9-3-6-12-22(18)25(26,27)28/h3-14,16,30H,2,15,17,29H2,1H3/b19-16+
InChIKeyYHPVNPMJDMQUEA-KNTRCKAVSA-N
XLogP6.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 56.78
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

(1Z,3E)-1-cyclohexyl-3-N-[1-[2-(propylamino)phenyl]ethenyl]-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine
CID 142126168
(1E,3E)-1-N'-[1-[2-(propylamino)phenyl]ethenyl]-3-[2-(trifluoromethyl)phenyl]buta-1,3-diene-1,1,4-triamine
CID 142127271
ethane;2-N-propylbenzene-1,2-diamine
CID 91196578
5-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 107285802
2-tert-butyl-N-propylaniline
CID 39238556
2-methyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 62881302
6-N-propyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736803
2-[(2-aminophenyl)methyl]-4,6-difluoro-N-propylaniline;ethane;methanamine;1-methyl-2-(trifluoromethyl)benzene
CID 142126120
1-N-[2-(trifluoromethyl)phenyl]pentane-1,3-diamine
CID 113498113
2-methyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
CID 86277095
N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propan-1-amine
CID 13344556
ethyl 2-(propylamino)benzoate
CID 15662762

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-[2-(propylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-1-enyl]aniline?
The IUPAC name of 2-[(E)-1-[2-(propylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-1-enyl]aniline (CID 142128521) is 2-[(E)-1-[2-(propylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-1-enyl]aniline.
What is the SMILES notation for 2-[(E)-1-[2-(propylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-1-enyl]aniline?
The canonical SMILES for 2-[(E)-1-[2-(propylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-1-enyl]aniline is CCCNc1ccccc1/C(=C/Cc1ccccc1C(F)(F)F)c1ccccc1N.
What is the InChIKey of 2-[(E)-1-[2-(propylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-1-enyl]aniline?
The InChIKey is YHPVNPMJDMQUEA-KNTRCKAVSA-N. The full InChI is InChI=1S/C25H25F3N2/c1-2-17-30-24-14-8-5-11-21(24)19(20-10-4-7-13-23(20)29)16-15-18-9-3-6-12-22(18)25(26,27)28/h3-14,16,30H,2,15,17,29H2,1H3/b19-16+.
What are the key properties of 2-[(E)-1-[2-(propylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-1-enyl]aniline?
2-[(E)-1-[2-(propylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-1-enyl]aniline has a molecular weight of 410.48 g/mol, XLogP of 6.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[2-(propylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-1-enyl]aniline is sourced from PubChem (CID 142128521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).