4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine

C14H15F3N2 — CID 20737628

IUPAC4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine
SMILESNCCCCc1ccnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C14H15F3N2/c15-14(16,17)12-6-3-5-11-10(4-1-2-8-18)7-9-19-13(11)12/h3,5-7,9H,1-2,4,8,18H2
InChIKeyIGHQRLGRQHZNRT-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.54
Rot. Bonds4

About 4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine

4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine (PubChem CID 20737628) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine.

Molecular Properties

Compound Name4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine
PubChem CID20737628
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine
SMILESNCCCCc1ccnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C14H15F3N2/c15-14(16,17)12-6-3-5-11-10(4-1-2-8-18)7-9-19-13(11)12/h3,5-7,9H,1-2,4,8,18H2
InChIKeyIGHQRLGRQHZNRT-UHFFFAOYSA-N
XLogP3.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.54
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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Frequently Asked Questions

What is the IUPAC name of 4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine?
The IUPAC name of 4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine (CID 20737628) is 4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine.
What is the SMILES notation for 4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine?
The canonical SMILES for 4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine is NCCCCc1ccnc2c(C(F)(F)F)cccc12.
What is the InChIKey of 4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine?
The InChIKey is IGHQRLGRQHZNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c15-14(16,17)12-6-3-5-11-10(4-1-2-8-18)7-9-19-13(11)12/h3,5-7,9H,1-2,4,8,18H2.
What are the key properties of 4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine?
4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine has a molecular weight of 268.28 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine is sourced from PubChem (CID 20737628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).