1-[3-fluoro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine

C18H21FN2 — CID 43108843

IUPAC1-[3-fluoro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(N2c3ccccc3CCC2C)c(F)c1
InChIInChI=1S/C18H21FN2/c1-12-7-8-14-5-3-4-6-17(14)21(12)18-10-9-15(13(2)20)11-16(18)19/h3-6,9-13H,7-8,20H2,1-2H3
InChIKeySXHLHBMGABUXRV-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.32
Rot. Bonds2

About 1-[3-fluoro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine

1-[3-fluoro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine (PubChem CID 43108843) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[3-fluoro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
PubChem CID43108843
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-[3-fluoro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(N2c3ccccc3CCC2C)c(F)c1
InChIInChI=1S/C18H21FN2/c1-12-7-8-14-5-3-4-6-17(14)21(12)18-10-9-15(13(2)20)11-16(18)19/h3-6,9-13H,7-8,20H2,1-2H3
InChIKeySXHLHBMGABUXRV-UHFFFAOYSA-N
XLogP4.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[3-fluoro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine (CID 43108843) is 1-[3-fluoro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[3-fluoro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine is CC(N)c1ccc(N2c3ccccc3CCC2C)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The InChIKey is SXHLHBMGABUXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-12-7-8-14-5-3-4-6-17(14)21(12)18-10-9-15(13(2)20)11-16(18)19/h3-6,9-13H,7-8,20H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
1-[3-fluoro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine has a molecular weight of 284.38 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 43108843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).