1-(3-fluoro-2-pyridinyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine

C18H19FN4 — CID 166397375

IUPAC1-(3-fluoro-2-pyridinyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine
SMILESCC(NCc1cccc(Cn2ccnc2)c1)c1ncccc1F
InChIInChI=1S/C18H19FN4/c1-14(18-17(19)6-3-7-21-18)22-11-15-4-2-5-16(10-15)12-23-9-8-20-13-23/h2-10,13-14,22H,11-12H2,1H3
InChIKeyGQTJAOKTWOBBKN-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.32
Rot. Bonds6

About 1-(3-fluoro-2-pyridinyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine

1-(3-fluoro-2-pyridinyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine (PubChem CID 166397375) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine
PubChem CID166397375
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name1-(3-fluoro-2-pyridinyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine
SMILESCC(NCc1cccc(Cn2ccnc2)c1)c1ncccc1F
InChIInChI=1S/C18H19FN4/c1-14(18-17(19)6-3-7-21-18)22-11-15-4-2-5-16(10-15)12-23-9-8-20-13-23/h2-10,13-14,22H,11-12H2,1H3
InChIKeyGQTJAOKTWOBBKN-UHFFFAOYSA-N
XLogP3.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pyridinyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine (CID 166397375) is 1-(3-fluoro-2-pyridinyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine is CC(NCc1cccc(Cn2ccnc2)c1)c1ncccc1F.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine?
The InChIKey is GQTJAOKTWOBBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c1-14(18-17(19)6-3-7-21-18)22-11-15-4-2-5-16(10-15)12-23-9-8-20-13-23/h2-10,13-14,22H,11-12H2,1H3.
What are the key properties of 1-(3-fluoro-2-pyridinyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine?
1-(3-fluoro-2-pyridinyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine has a molecular weight of 310.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 166397375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).