4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine

C14H15F3N2 — CID 79039070

IUPAC4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine
SMILESFC(F)(F)CCCNCc1ccc2ccccc2n1
InChIInChI=1S/C14H15F3N2/c15-14(16,17)8-3-9-18-10-12-7-6-11-4-1-2-5-13(11)19-12/h1-2,4-7,18H,3,8-10H2
InChIKeyRFVDVHTVQHLAFR-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.67
Rot. Bonds5

About 4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine

4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine (PubChem CID 79039070) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine
PubChem CID79039070
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine
SMILESFC(F)(F)CCCNCc1ccc2ccccc2n1
InChIInChI=1S/C14H15F3N2/c15-14(16,17)8-3-9-18-10-12-7-6-11-4-1-2-5-13(11)19-12/h1-2,4-7,18H,3,8-10H2
InChIKeyRFVDVHTVQHLAFR-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(quinolin-2-ylmethylamino)pentan-1-ol
CID 107302820
6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine
CID 114008239
N-(quinolin-2-ylmethyl)hexan-1-amine
CID 60672947
3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 103698449
2-(quinolin-2-ylmethylamino)ethanol;hydrochloride
CID 54612158
4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine
CID 79039082
2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol
CID 103992599
4,4,4-trifluoro-N-[(2-methylpyrimidin-4-yl)methyl]butan-1-amine
CID 115513579
2-[(5,5,5-trifluoropentylamino)methyl]quinolin-4-amine
CID 115520378
2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine
CID 113429898
N-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine
CID 28774820
N-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide
CID 70839107

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine (CID 79039070) is 4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine is FC(F)(F)CCCNCc1ccc2ccccc2n1.
What is the InChIKey of 4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine?
The InChIKey is RFVDVHTVQHLAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c15-14(16,17)8-3-9-18-10-12-7-6-11-4-1-2-5-13(11)19-12/h1-2,4-7,18H,3,8-10H2.
What are the key properties of 4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine?
4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine has a molecular weight of 268.28 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 79039070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).