(1R)-1-(3-chloro-4-fluorophenyl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine

C16H19ClFN3 — CID 97020620

IUPAC(1R)-1-(3-chloro-4-fluorophenyl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine
SMILESC[C@@H](NC[C@@H]1CCCn2ccnc21)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H19ClFN3/c1-11(12-4-5-15(18)14(17)9-12)20-10-13-3-2-7-21-8-6-19-16(13)21/h4-6,8-9,11,13,20H,2-3,7,10H2,1H3/t11-,13+/m1/s1
InChIKeyHFGYAZRIBYBFQD-YPMHNXCESA-N
MW307.80 g/mol
LogP3.90
Rot. Bonds4

About (1R)-1-(3-chloro-4-fluorophenyl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine

(1R)-1-(3-chloro-4-fluorophenyl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine (PubChem CID 97020620) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is (1R)-1-(3-chloro-4-fluorophenyl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chloro-4-fluorophenyl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine
PubChem CID97020620
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC Name(1R)-1-(3-chloro-4-fluorophenyl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine
SMILESC[C@@H](NC[C@@H]1CCCn2ccnc21)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H19ClFN3/c1-11(12-4-5-15(18)14(17)9-12)20-10-13-3-2-7-21-8-6-19-16(13)21/h4-6,8-9,11,13,20H,2-3,7,10H2,1H3/t11-,13+/m1/s1
InChIKeyHFGYAZRIBYBFQD-YPMHNXCESA-N
XLogP3.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-4-fluorophenyl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine?
The IUPAC name of (1R)-1-(3-chloro-4-fluorophenyl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine (CID 97020620) is (1R)-1-(3-chloro-4-fluorophenyl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-chloro-4-fluorophenyl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-chloro-4-fluorophenyl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine is C[C@@H](NC[C@@H]1CCCn2ccnc21)c1ccc(F)c(Cl)c1.
What is the InChIKey of (1R)-1-(3-chloro-4-fluorophenyl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine?
The InChIKey is HFGYAZRIBYBFQD-YPMHNXCESA-N. The full InChI is InChI=1S/C16H19ClFN3/c1-11(12-4-5-15(18)14(17)9-12)20-10-13-3-2-7-21-8-6-19-16(13)21/h4-6,8-9,11,13,20H,2-3,7,10H2,1H3/t11-,13+/m1/s1.
What are the key properties of (1R)-1-(3-chloro-4-fluorophenyl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine?
(1R)-1-(3-chloro-4-fluorophenyl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine has a molecular weight of 307.80 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-4-fluorophenyl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine is sourced from PubChem (CID 97020620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).