[1-methyl-6-(trifluoromethyl)spiro[2,4-dihydroquinoline-3,1'-cyclopropane]-4-yl]methanamine

C14H17F3N2 — CID 82625624

IUPAC[1-methyl-6-(trifluoromethyl)spiro[2,4-dihydroquinoline-3,1'-cyclopropane]-4-yl]methanamine
SMILESCN1CC2(CC2)C(CN)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H17F3N2/c1-19-8-13(4-5-13)11(7-18)10-6-9(14(15,16)17)2-3-12(10)19/h2-3,6,11H,4-5,7-8,18H2,1H3
InChIKeyFYPBDGDCESPVGP-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.98
Rot. Bonds1

About [1-methyl-6-(trifluoromethyl)spiro[2,4-dihydroquinoline-3,1'-cyclopropane]-4-yl]methanamine

[1-methyl-6-(trifluoromethyl)spiro[2,4-dihydroquinoline-3,1'-cyclopropane]-4-yl]methanamine (PubChem CID 82625624) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is [1-methyl-6-(trifluoromethyl)spiro[2,4-dihydroquinoline-3,1'-cyclopropane]-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-6-(trifluoromethyl)spiro[2,4-dihydroquinoline-3,1'-cyclopropane]-4-yl]methanamine
PubChem CID82625624
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name[1-methyl-6-(trifluoromethyl)spiro[2,4-dihydroquinoline-3,1'-cyclopropane]-4-yl]methanamine
SMILESCN1CC2(CC2)C(CN)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H17F3N2/c1-19-8-13(4-5-13)11(7-18)10-6-9(14(15,16)17)2-3-12(10)19/h2-3,6,11H,4-5,7-8,18H2,1H3
InChIKeyFYPBDGDCESPVGP-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazin-3-yl]methanamine
CID 84638796
1,1'-dimethyl-5-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]
CID 70927045
1-methyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-5-carboxylic acid
CID 82625986
1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-3H-indol-2-one
CID 102339891
2-methyl-7-(trifluoromethyl)-1H-isoquinolin-1-amine
CID 135397461
(4R)-1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 6926181
2-(5-azaspiro[2.3]hexan-5-yl)-5-(trifluoromethyl)aniline
CID 79689199
1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylpiperidin-4-ol
CID 81096091
[2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine
CID 103505205
3-benzyl-1-methyl-5-(trifluoromethyl)-3H-indol-2-one
CID 102325825
1-[2-bromo-4-(trifluoromethyl)phenyl]-3-cyclopropylazetidin-3-amine
CID 115512355
2-methyl-6-(trifluoromethyl)-1H-isoquinolin-1-amine
CID 135394773

Frequently Asked Questions

What is the IUPAC name of [1-methyl-6-(trifluoromethyl)spiro[2,4-dihydroquinoline-3,1'-cyclopropane]-4-yl]methanamine?
The IUPAC name of [1-methyl-6-(trifluoromethyl)spiro[2,4-dihydroquinoline-3,1'-cyclopropane]-4-yl]methanamine (CID 82625624) is [1-methyl-6-(trifluoromethyl)spiro[2,4-dihydroquinoline-3,1'-cyclopropane]-4-yl]methanamine.
What is the SMILES notation for [1-methyl-6-(trifluoromethyl)spiro[2,4-dihydroquinoline-3,1'-cyclopropane]-4-yl]methanamine?
The canonical SMILES for [1-methyl-6-(trifluoromethyl)spiro[2,4-dihydroquinoline-3,1'-cyclopropane]-4-yl]methanamine is CN1CC2(CC2)C(CN)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of [1-methyl-6-(trifluoromethyl)spiro[2,4-dihydroquinoline-3,1'-cyclopropane]-4-yl]methanamine?
The InChIKey is FYPBDGDCESPVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2/c1-19-8-13(4-5-13)11(7-18)10-6-9(14(15,16)17)2-3-12(10)19/h2-3,6,11H,4-5,7-8,18H2,1H3.
What are the key properties of [1-methyl-6-(trifluoromethyl)spiro[2,4-dihydroquinoline-3,1'-cyclopropane]-4-yl]methanamine?
[1-methyl-6-(trifluoromethyl)spiro[2,4-dihydroquinoline-3,1'-cyclopropane]-4-yl]methanamine has a molecular weight of 270.30 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-6-(trifluoromethyl)spiro[2,4-dihydroquinoline-3,1'-cyclopropane]-4-yl]methanamine is sourced from PubChem (CID 82625624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).