(3S)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine

C17H20FN3 — CID 137443103

IUPAC(3S)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC[C@@H](c1cccc(F)c1)N1CCc2ncccc21
InChIInChI=1S/C17H20FN3/c1-19-10-7-16(13-4-2-5-14(18)12-13)21-11-8-15-17(21)6-3-9-20-15/h2-6,9,12,16,19H,7-8,10-11H2,1H3/t16-/m0/s1
InChIKeyPZMZCKKMWGYHHY-INIZCTEOSA-N
MW285.37 g/mol
LogP2.93
Rot. Bonds5

About (3S)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine

(3S)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 137443103) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is (3S)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name(3S)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine
PubChem CID137443103
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name(3S)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC[C@@H](c1cccc(F)c1)N1CCc2ncccc21
InChIInChI=1S/C17H20FN3/c1-19-10-7-16(13-4-2-5-14(18)12-13)21-11-8-15-17(21)6-3-9-20-15/h2-6,9,12,16,19H,7-8,10-11H2,1H3/t16-/m0/s1
InChIKeyPZMZCKKMWGYHHY-INIZCTEOSA-N
XLogP2.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of (3S)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine (CID 137443103) is (3S)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for (3S)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for (3S)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine is CNCC[C@@H](c1cccc(F)c1)N1CCc2ncccc21.
What is the InChIKey of (3S)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is PZMZCKKMWGYHHY-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20FN3/c1-19-10-7-16(13-4-2-5-14(18)12-13)21-11-8-15-17(21)6-3-9-20-15/h2-6,9,12,16,19H,7-8,10-11H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine?
(3S)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 285.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 137443103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).