(1S)-1-[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine

C18H21FN2 — CID 78944403

IUPAC(1S)-1-[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
SMILESCC1Cc2ccccc2N(c2ccc(F)cc2[C@H](C)N)C1
InChIInChI=1S/C18H21FN2/c1-12-9-14-5-3-4-6-17(14)21(11-12)18-8-7-15(19)10-16(18)13(2)20/h3-8,10,12-13H,9,11,20H2,1-2H3/t12?,13-/m0/s1
InChIKeyQFPMUWGXAFUKMT-ABLWVSNPSA-N
MW284.38 g/mol
LogP4.18
Rot. Bonds2

About (1S)-1-[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine

(1S)-1-[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine (PubChem CID 78944403) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
PubChem CID78944403
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name(1S)-1-[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
SMILESCC1Cc2ccccc2N(c2ccc(F)cc2[C@H](C)N)C1
InChIInChI=1S/C18H21FN2/c1-12-9-14-5-3-4-6-17(14)21(11-12)18-8-7-15(19)10-16(18)13(2)20/h3-8,10,12-13H,9,11,20H2,1-2H3/t12?,13-/m0/s1
InChIKeyQFPMUWGXAFUKMT-ABLWVSNPSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine (CID 78944403) is (1S)-1-[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine is CC1Cc2ccccc2N(c2ccc(F)cc2[C@H](C)N)C1.
What is the InChIKey of (1S)-1-[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The InChIKey is QFPMUWGXAFUKMT-ABLWVSNPSA-N. The full InChI is InChI=1S/C18H21FN2/c1-12-9-14-5-3-4-6-17(14)21(11-12)18-8-7-15(19)10-16(18)13(2)20/h3-8,10,12-13H,9,11,20H2,1-2H3/t12?,13-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
(1S)-1-[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine has a molecular weight of 284.38 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 78944403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).