1-(4-methylpent-1-en-2-yl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-amine

C16H21F3N2 — CID 134189009

IUPAC1-(4-methylpent-1-en-2-yl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-amine
SMILESC=C(CC(C)C)N1CCC(N)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H21F3N2/c1-10(2)8-11(3)21-7-6-14(20)13-9-12(16(17,18)19)4-5-15(13)21/h4-5,9-10,14H,3,6-8,20H2,1-2H3
InChIKeyZYJBMMRTQAFCJM-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.48
Rot. Bonds3

About 1-(4-methylpent-1-en-2-yl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-amine

1-(4-methylpent-1-en-2-yl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 134189009) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(4-methylpent-1-en-2-yl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound Name1-(4-methylpent-1-en-2-yl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-amine
PubChem CID134189009
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name1-(4-methylpent-1-en-2-yl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-amine
SMILESC=C(CC(C)C)N1CCC(N)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H21F3N2/c1-10(2)8-11(3)21-7-6-14(20)13-9-12(16(17,18)19)4-5-15(13)21/h4-5,9-10,14H,3,6-8,20H2,1-2H3
InChIKeyZYJBMMRTQAFCJM-UHFFFAOYSA-N
XLogP4.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 143173742
[2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine
CID 103505205
4-ethylsulfonyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 22735297
4-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 22735345
N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine
CID 117201728
1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 106835243
O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine
CID 117201719
(4R)-1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 6926181
3-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 63667119
1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one
CID 117201707
[2-cyclopropyl-4-(trifluoromethyl)phenyl]boronic acid
CID 66520859
1-[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-3-methylbutan-1-one
CID 113078672

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpent-1-en-2-yl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of 1-(4-methylpent-1-en-2-yl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-amine (CID 134189009) is 1-(4-methylpent-1-en-2-yl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for 1-(4-methylpent-1-en-2-yl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for 1-(4-methylpent-1-en-2-yl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-amine is C=C(CC(C)C)N1CCC(N)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-(4-methylpent-1-en-2-yl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is ZYJBMMRTQAFCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c1-10(2)8-11(3)21-7-6-14(20)13-9-12(16(17,18)19)4-5-15(13)21/h4-5,9-10,14H,3,6-8,20H2,1-2H3.
What are the key properties of 1-(4-methylpent-1-en-2-yl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-amine?
1-(4-methylpent-1-en-2-yl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 298.35 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpent-1-en-2-yl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 134189009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).