[2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-2-methyl-3-(methylamino)propylidene]azanium

C15H22F2N3+ — CID 154690099

IUPAC[2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-2-methyl-3-(methylamino)propylidene]azanium
SMILESCNCC(C)(C=[NH2+])c1cc2c(cc1C(F)F)NCCC2
InChIInChI=1S/C15H21F2N3/c1-15(8-18,9-19-2)12-6-10-4-3-5-20-13(10)7-11(12)14(16)17/h6-8,14,18-20H,3-5,9H2,1-2H3/p+1
InChIKeyASMMCPHMXWVZHK-UHFFFAOYSA-O
MW282.36 g/mol
LogP1.29
Rot. Bonds5

About [2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-2-methyl-3-(methylamino)propylidene]azanium

[2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-2-methyl-3-(methylamino)propylidene]azanium (PubChem CID 154690099) has the molecular formula C15H22F2N3+ and a molecular weight of 282.36 g/mol. Its IUPAC name is [2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-2-methyl-3-(methylamino)propylidene]azanium.

Molecular Properties

Compound Name[2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-2-methyl-3-(methylamino)propylidene]azanium
PubChem CID154690099
Molecular FormulaC15H22F2N3+
Molecular Weight282.36 g/mol
Exact Mass282.18
IUPAC Name[2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-2-methyl-3-(methylamino)propylidene]azanium
SMILESCNCC(C)(C=[NH2+])c1cc2c(cc1C(F)F)NCCC2
InChIInChI=1S/C15H21F2N3/c1-15(8-18,9-19-2)12-6-10-4-3-5-20-13(10)7-11(12)14(16)17/h6-8,14,18-20H,3-5,9H2,1-2H3/p+1
InChIKeyASMMCPHMXWVZHK-UHFFFAOYSA-O
XLogP1.29
TPSA49.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 12647571
5-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 16244386
7-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 2781139
6-(tert-Butyl)-1,2,3,4-tetrahydroquinoline
CID 3018592
2,2,4,6,7-Pentamethyl-1,2,3,4-tetrahydroquinoline
CID 3142211
(2R,4S)-2-ethyl-6-(t r i f luoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 74376166
7-(Difluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 84658963
3-Propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386100
(2R,4S)-2-methyl-4-pentyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 102337982
(4aR,9aS)-3,3,9,9-tetramethyl-7-(trifluoromethyl)-1,2,4,4a,9a,10-hexahydroacridine
CID 10335631
N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(trifluoromethyl)aniline
CID 12064184
8-Amino-7-trifluoromethyl-1,2,3,4-tetrahydroisoquinoline
CID 21393824

Frequently Asked Questions

What is the IUPAC name of [2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-2-methyl-3-(methylamino)propylidene]azanium?
The IUPAC name of [2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-2-methyl-3-(methylamino)propylidene]azanium (CID 154690099) is [2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-2-methyl-3-(methylamino)propylidene]azanium.
What is the SMILES notation for [2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-2-methyl-3-(methylamino)propylidene]azanium?
The canonical SMILES for [2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-2-methyl-3-(methylamino)propylidene]azanium is CNCC(C)(C=[NH2+])c1cc2c(cc1C(F)F)NCCC2.
What is the InChIKey of [2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-2-methyl-3-(methylamino)propylidene]azanium?
The InChIKey is ASMMCPHMXWVZHK-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21F2N3/c1-15(8-18,9-19-2)12-6-10-4-3-5-20-13(10)7-11(12)14(16)17/h6-8,14,18-20H,3-5,9H2,1-2H3/p+1.
What are the key properties of [2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-2-methyl-3-(methylamino)propylidene]azanium?
[2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-2-methyl-3-(methylamino)propylidene]azanium has a molecular weight of 282.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-2-methyl-3-(methylamino)propylidene]azanium is sourced from PubChem (CID 154690099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).