N-methyl-1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-4-amine

C14H19F3N2 — CID 115512957

IUPACN-methyl-1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-4-amine
SMILESCNC1CCN(CCCC(F)(F)F)c2ccccc21
InChIInChI=1S/C14H19F3N2/c1-18-12-7-10-19(9-4-8-14(15,16)17)13-6-3-2-5-11(12)13/h2-3,5-6,12,18H,4,7-10H2,1H3
InChIKeyWNWZJYINKRKDIK-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.50
Rot. Bonds4

About N-methyl-1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-4-amine

N-methyl-1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 115512957) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-methyl-1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-4-amine
PubChem CID115512957
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-methyl-1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-4-amine
SMILESCNC1CCN(CCCC(F)(F)F)c2ccccc21
InChIInChI=1S/C14H19F3N2/c1-18-12-7-10-19(9-4-8-14(15,16)17)13-6-3-2-5-11(12)13/h2-3,5-6,12,18H,4,7-10H2,1H3
InChIKeyWNWZJYINKRKDIK-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4,4,4-trifluorobutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336343
1-[3-(dimethylamino)propyl]-N-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 114524574
5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol
CID 114336250
2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol
CID 114336322
N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336172
1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336204
1-(3-methoxy-3-methylbutyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine
CID 103032467
N-ethyl-1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-4-amine
CID 104646717
1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336239
1-[3-(dimethylamino)propyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine
CID 114524576
N-methyl-1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-4-amine
CID 102880170
(2S)-2-(2,4-difluorophenyl)-5-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-1,5-benzothiazepine
CID 42432907

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of N-methyl-1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-4-amine (CID 115512957) is N-methyl-1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for N-methyl-1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for N-methyl-1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-4-amine is CNC1CCN(CCCC(F)(F)F)c2ccccc21.
What is the InChIKey of N-methyl-1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is WNWZJYINKRKDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-18-12-7-10-19(9-4-8-14(15,16)17)13-6-3-2-5-11(12)13/h2-3,5-6,12,18H,4,7-10H2,1H3.
What are the key properties of N-methyl-1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-4-amine?
N-methyl-1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 272.31 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 115512957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).