ethane;(Z)-hex-2-en-2-amine;N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine

C25H34F3N3 — CID 142126107

IUPACethane;(Z)-hex-2-en-2-amine;N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine
SMILESCC.CCC/C=C(/C)N.CNC1=CC(c2ccccc2C(F)(F)F)Nc2ccccc21
InChIInChI=1S/C17H15F3N2.C6H13N.C2H6/c1-21-15-10-16(22-14-9-5-3-7-12(14)15)11-6-2-4-8-13(11)17(18,19)20;1-3-4-5-6(2)7;1-2/h2-10,16,21-22H,1H3;5H,3-4,7H2,1-2H3;1-2H3/b;6-5-;
InChIKeyKNLFTRGWLQHCFJ-XRPAZMCKSA-N
MW433.56 g/mol
LogP7.11
Rot. Bonds4

About ethane;(Z)-hex-2-en-2-amine;N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine

ethane;(Z)-hex-2-en-2-amine;N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine (PubChem CID 142126107) has the molecular formula C25H34F3N3 and a molecular weight of 433.56 g/mol. Its IUPAC name is ethane;(Z)-hex-2-en-2-amine;N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine.

Molecular Properties

Compound Nameethane;(Z)-hex-2-en-2-amine;N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine
PubChem CID142126107
Molecular FormulaC25H34F3N3
Molecular Weight433.56 g/mol
Exact Mass433.27
IUPAC Nameethane;(Z)-hex-2-en-2-amine;N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine
SMILESCC.CCC/C=C(/C)N.CNC1=CC(c2ccccc2C(F)(F)F)Nc2ccccc21
InChIInChI=1S/C17H15F3N2.C6H13N.C2H6/c1-21-15-10-16(22-14-9-5-3-7-12(14)15)11-6-2-4-8-13(11)17(18,19)20;1-3-4-5-6(2)7;1-2/h2-10,16,21-22H,1H3;5H,3-4,7H2,1-2H3;1-2H3/b;6-5-;
InChIKeyKNLFTRGWLQHCFJ-XRPAZMCKSA-N
XLogP7.11
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 57.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze ethane;(Z)-hex-2-en-2-amine;N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine with MolForge

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Related Compounds

N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine
CID 142126108
ethane;N-methyl-1-phenylethanamine;N-methyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-imine;pentane
CID 142125593
N-[(3Z)-penta-1,3-dien-2-yl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine;pentan-1-amine
CID 142127831
6-methyl-N-[1-(2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyridin-4-amine;pentane
CID 142125677
2,2-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
CID 55062903
3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 4744964
2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one
CID 12990251
ethane;N-[1-[5-fluoro-2-(propylamino)phenyl]ethyl]-6-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyridin-4-amine
CID 142126911
N-[1-(2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,7,8-tetrahydro-1,7-naphthyridin-4-amine
CID 142125686
N-propyl-3-[2-(trifluoromethyl)phenyl]piperidin-1-amine
CID 68523663
ethyl 2-amino-3-[4-[2-(trifluoromethyl)phenyl]phenyl]propanoate
CID 170885356
dimethyl 2,6-diethyl-1-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 71575868

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-hex-2-en-2-amine;N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine?
The IUPAC name of ethane;(Z)-hex-2-en-2-amine;N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine (CID 142126107) is ethane;(Z)-hex-2-en-2-amine;N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine.
What is the SMILES notation for ethane;(Z)-hex-2-en-2-amine;N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine?
The canonical SMILES for ethane;(Z)-hex-2-en-2-amine;N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine is CC.CCC/C=C(/C)N.CNC1=CC(c2ccccc2C(F)(F)F)Nc2ccccc21.
What is the InChIKey of ethane;(Z)-hex-2-en-2-amine;N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine?
The InChIKey is KNLFTRGWLQHCFJ-XRPAZMCKSA-N. The full InChI is InChI=1S/C17H15F3N2.C6H13N.C2H6/c1-21-15-10-16(22-14-9-5-3-7-12(14)15)11-6-2-4-8-13(11)17(18,19)20;1-3-4-5-6(2)7;1-2/h2-10,16,21-22H,1H3;5H,3-4,7H2,1-2H3;1-2H3/b;6-5-;.
What are the key properties of ethane;(Z)-hex-2-en-2-amine;N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine?
ethane;(Z)-hex-2-en-2-amine;N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine has a molecular weight of 433.56 g/mol, XLogP of 7.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-hex-2-en-2-amine;N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine is sourced from PubChem (CID 142126107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).