N-[2-(cyclohexen-1-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine

C18H19F3N2 — CID 70113412

IUPACN-[2-(cyclohexen-1-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1ccc2c(NCCC3=CCCCC3)ccnc2c1
InChIInChI=1S/C18H19F3N2/c19-18(20,21)14-6-7-15-16(9-11-23-17(15)12-14)22-10-8-13-4-2-1-3-5-13/h4,6-7,9,11-12H,1-3,5,8,10H2,(H,22,23)
InChIKeyFFKDSAKVULMOIQ-UHFFFAOYSA-N
MW320.36 g/mol
LogP5.56
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine

N-[2-(cyclohexen-1-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 70113412) has the molecular formula C18H19F3N2 and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine
PubChem CID70113412
Molecular FormulaC18H19F3N2
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1ccc2c(NCCC3=CCCCC3)ccnc2c1
InChIInChI=1S/C18H19F3N2/c19-18(20,21)14-6-7-15-16(9-11-23-17(15)12-14)22-10-8-13-4-2-1-3-5-13/h4,6-7,9,11-12H,1-3,5,8,10H2,(H,22,23)
InChIKeyFFKDSAKVULMOIQ-UHFFFAOYSA-N
XLogP5.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.36
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-N-[2-(cyclohexen-1-yl)ethyl]quinolin-4-amine
CID 11587318
2-[2-(cyclohexen-1-yl)ethylamino]-5-(trifluoromethyl)benzonitrile
CID 63509946
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112885489
2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide
CID 133402575
[7-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 15585954
trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine
CID 10625318
6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19143608
N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide
CID 86802912
4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine
CID 107846044
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112885487
N-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133402646
5-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109227601

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine (CID 70113412) is N-[2-(cyclohexen-1-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine is FC(F)(F)c1ccc2c(NCCC3=CCCCC3)ccnc2c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is FFKDSAKVULMOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2/c19-18(20,21)14-6-7-15-16(9-11-23-17(15)12-14)22-10-8-13-4-2-1-3-5-13/h4,6-7,9,11-12H,1-3,5,8,10H2,(H,22,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine?
N-[2-(cyclohexen-1-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 320.36 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 70113412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).