(1R)-1-(4-fluorophenyl)-N-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]propan-1-amine

C17H22FN3 — CID 97025817

IUPAC(1R)-1-(4-fluorophenyl)-N-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]propan-1-amine
SMILESCC[C@@H](NC[C@H]1CCCn2ccnc21)c1ccc(F)cc1
InChIInChI=1S/C17H22FN3/c1-2-16(13-5-7-15(18)8-6-13)20-12-14-4-3-10-21-11-9-19-17(14)21/h5-9,11,14,16,20H,2-4,10,12H2,1H3/t14-,16-/m1/s1
InChIKeyDSHLPNCDNJEMLA-GDBMZVCRSA-N
MW287.38 g/mol
LogP3.64
Rot. Bonds5

About (1R)-1-(4-fluorophenyl)-N-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]propan-1-amine

(1R)-1-(4-fluorophenyl)-N-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]propan-1-amine (PubChem CID 97025817) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-N-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-N-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]propan-1-amine
PubChem CID97025817
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name(1R)-1-(4-fluorophenyl)-N-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]propan-1-amine
SMILESCC[C@@H](NC[C@H]1CCCn2ccnc21)c1ccc(F)cc1
InChIInChI=1S/C17H22FN3/c1-2-16(13-5-7-15(18)8-6-13)20-12-14-4-3-10-21-11-9-19-17(14)21/h5-9,11,14,16,20H,2-4,10,12H2,1H3/t14-,16-/m1/s1
InChIKeyDSHLPNCDNJEMLA-GDBMZVCRSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-N-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]propan-1-amine?
The IUPAC name of (1R)-1-(4-fluorophenyl)-N-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]propan-1-amine (CID 97025817) is (1R)-1-(4-fluorophenyl)-N-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]propan-1-amine.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-N-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]propan-1-amine?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-N-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]propan-1-amine is CC[C@@H](NC[C@H]1CCCn2ccnc21)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-N-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]propan-1-amine?
The InChIKey is DSHLPNCDNJEMLA-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H22FN3/c1-2-16(13-5-7-15(18)8-6-13)20-12-14-4-3-10-21-11-9-19-17(14)21/h5-9,11,14,16,20H,2-4,10,12H2,1H3/t14-,16-/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-N-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]propan-1-amine?
(1R)-1-(4-fluorophenyl)-N-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]propan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-N-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]propan-1-amine is sourced from PubChem (CID 97025817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).