1-(8-fluoro-2-propan-2-ylquinolin-4-yl)ethanamine

C14H17FN2 — CID 82448872

IUPAC1-(8-fluoro-2-propan-2-ylquinolin-4-yl)ethanamine
SMILESCC(C)c1cc(C(C)N)c2cccc(F)c2n1
InChIInChI=1S/C14H17FN2/c1-8(2)13-7-11(9(3)16)10-5-4-6-12(15)14(10)17-13/h4-9H,16H2,1-3H3
InChIKeyQZWJSKPBKLXGHN-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.52
Rot. Bonds2

About 1-(8-fluoro-2-propan-2-ylquinolin-4-yl)ethanamine

1-(8-fluoro-2-propan-2-ylquinolin-4-yl)ethanamine (PubChem CID 82448872) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-(8-fluoro-2-propan-2-ylquinolin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(8-fluoro-2-propan-2-ylquinolin-4-yl)ethanamine
PubChem CID82448872
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name1-(8-fluoro-2-propan-2-ylquinolin-4-yl)ethanamine
SMILESCC(C)c1cc(C(C)N)c2cccc(F)c2n1
InChIInChI=1S/C14H17FN2/c1-8(2)13-7-11(9(3)16)10-5-4-6-12(15)14(10)17-13/h4-9H,16H2,1-3H3
InChIKeyQZWJSKPBKLXGHN-UHFFFAOYSA-N
XLogP3.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)ethanamine
CID 82449539
1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine
CID 82575830
8-fluoro-2-methyl-4-propan-2-ylquinazoline
CID 139473937
2-[(1S)-1-aminoethyl]-8-fluoro-3-phenylquinazolin-4-one
CID 90233110
8-methyl-2-propan-2-ylquinolin-4-amine
CID 62198205
1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine
CID 82575777
1-(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanamine
CID 82451087
4-(bromomethyl)-2,8-di(propan-2-yl)quinoline
CID 82448081
4-(4,8-difluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine
CID 15864232
7-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine
CID 62196606
1-(8-ethoxy-2-methylquinolin-4-yl)ethanamine
CID 82575817
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320

Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-2-propan-2-ylquinolin-4-yl)ethanamine?
The IUPAC name of 1-(8-fluoro-2-propan-2-ylquinolin-4-yl)ethanamine (CID 82448872) is 1-(8-fluoro-2-propan-2-ylquinolin-4-yl)ethanamine.
What is the SMILES notation for 1-(8-fluoro-2-propan-2-ylquinolin-4-yl)ethanamine?
The canonical SMILES for 1-(8-fluoro-2-propan-2-ylquinolin-4-yl)ethanamine is CC(C)c1cc(C(C)N)c2cccc(F)c2n1.
What is the InChIKey of 1-(8-fluoro-2-propan-2-ylquinolin-4-yl)ethanamine?
The InChIKey is QZWJSKPBKLXGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-8(2)13-7-11(9(3)16)10-5-4-6-12(15)14(10)17-13/h4-9H,16H2,1-3H3.
What are the key properties of 1-(8-fluoro-2-propan-2-ylquinolin-4-yl)ethanamine?
1-(8-fluoro-2-propan-2-ylquinolin-4-yl)ethanamine has a molecular weight of 232.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-2-propan-2-ylquinolin-4-yl)ethanamine is sourced from PubChem (CID 82448872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).