1-benzyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid

C18H19F3N2O2 — CID 161163508

IUPAC1-benzyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid
SMILESNC1Cc2ccccc2N(Cc2ccccc2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H18N2.C2HF3O2/c17-15-10-14-8-4-5-9-16(14)18(12-15)11-13-6-2-1-3-7-13;3-2(4,5)1(6)7/h1-9,15H,10-12,17H2;(H,6,7)
InChIKeyUQFNMJFVOWVWBH-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.21
Rot. Bonds2

About 1-benzyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid

1-benzyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 161163508) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 1-benzyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-benzyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID161163508
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name1-benzyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid
SMILESNC1Cc2ccccc2N(Cc2ccccc2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H18N2.C2HF3O2/c17-15-10-14-8-4-5-9-16(14)18(12-15)11-13-6-2-1-3-7-13;3-2(4,5)1(6)7/h1-9,15H,10-12,17H2;(H,6,7)
InChIKeyUQFNMJFVOWVWBH-UHFFFAOYSA-N
XLogP3.21
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoic acid
CID 79621871
1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone
CID 22882347
1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903104
1-benzyl-3-propan-2-yl-3,4-dihydro-2H-quinoline
CID 171430341
1-[(2,6-dichloro-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine
CID 106994912
1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903040
2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid
CID 160947916
[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]carbamic acid
CID 66684624
(3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine
CID 56971695
1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine
CID 166361383
1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone
CID 103514183
1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine
CID 104800894

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-benzyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid (CID 161163508) is 1-benzyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-benzyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-benzyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid is NC1Cc2ccccc2N(Cc2ccccc2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-benzyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is UQFNMJFVOWVWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2.C2HF3O2/c17-15-10-14-8-4-5-9-16(14)18(12-15)11-13-6-2-1-3-7-13;3-2(4,5)1(6)7/h1-9,15H,10-12,17H2;(H,6,7).
What are the key properties of 1-benzyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid?
1-benzyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 352.36 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161163508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).