6-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-3-amine

C16H20FN3 — CID 83122869

IUPAC6-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-3-amine
SMILESCC(c1ccccc1F)N(C)c1ccc([C@H](C)N)nc1
InChIInChI=1S/C16H20FN3/c1-11(18)16-9-8-13(10-19-16)20(3)12(2)14-6-4-5-7-15(14)17/h4-12H,18H2,1-3H3/t11-,12?/m0/s1
InChIKeyYCTUQOXNQREXKV-PXYINDEMSA-N
MW273.36 g/mol
LogP3.44
Rot. Bonds4

About 6-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-3-amine

6-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-3-amine (PubChem CID 83122869) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 6-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-3-amine.

Molecular Properties

Compound Name6-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-3-amine
PubChem CID83122869
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name6-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-3-amine
SMILESCC(c1ccccc1F)N(C)c1ccc([C@H](C)N)nc1
InChIInChI=1S/C16H20FN3/c1-11(18)16-9-8-13(10-19-16)20(3)12(2)14-6-4-5-7-15(14)17/h4-12H,18H2,1-3H3/t11-,12?/m0/s1
InChIKeyYCTUQOXNQREXKV-PXYINDEMSA-N
XLogP3.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-3-amine?
The IUPAC name of 6-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-3-amine (CID 83122869) is 6-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-3-amine.
What is the SMILES notation for 6-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-3-amine?
The canonical SMILES for 6-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-3-amine is CC(c1ccccc1F)N(C)c1ccc([C@H](C)N)nc1.
What is the InChIKey of 6-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-3-amine?
The InChIKey is YCTUQOXNQREXKV-PXYINDEMSA-N. The full InChI is InChI=1S/C16H20FN3/c1-11(18)16-9-8-13(10-19-16)20(3)12(2)14-6-4-5-7-15(14)17/h4-12H,18H2,1-3H3/t11-,12?/m0/s1.
What are the key properties of 6-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-3-amine?
6-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-3-amine has a molecular weight of 273.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-3-amine is sourced from PubChem (CID 83122869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).