5-[2-(2-fluoro-4-methoxyphenyl)ethyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine

C17H21FN2O — CID 123530085

IUPAC5-[2-(2-fluoro-4-methoxyphenyl)ethyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
SMILESCOc1ccc(CCN2CCc3c(ccn3C)C2)c(F)c1
InChIInChI=1S/C17H21FN2O/c1-19-8-5-14-12-20(10-7-17(14)19)9-6-13-3-4-15(21-2)11-16(13)18/h3-5,8,11H,6-7,9-10,12H2,1-2H3
InChIKeyFXVRIASWWSRUHJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.77
Rot. Bonds4

About 5-[2-(2-fluoro-4-methoxyphenyl)ethyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine

5-[2-(2-fluoro-4-methoxyphenyl)ethyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine (PubChem CID 123530085) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-[2-(2-fluoro-4-methoxyphenyl)ethyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name5-[2-(2-fluoro-4-methoxyphenyl)ethyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
PubChem CID123530085
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name5-[2-(2-fluoro-4-methoxyphenyl)ethyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
SMILESCOc1ccc(CCN2CCc3c(ccn3C)C2)c(F)c1
InChIInChI=1S/C17H21FN2O/c1-19-8-5-14-12-20(10-7-17(14)19)9-6-13-3-4-15(21-2)11-16(13)18/h3-5,8,11H,6-7,9-10,12H2,1-2H3
InChIKeyFXVRIASWWSRUHJ-UHFFFAOYSA-N
XLogP2.77
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[2-(2-fluoro-4-methoxyphenyl)ethyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine with MolForge

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Related Compounds

4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
3-(5-Methoxy-1H-inden-2-yl)pyridine
CID 6540048
[2-(6-Methoxy-indol-1-yl)-ethyl]-dimethyl-amine
CID 44287445
7-Methoxy-1,2-dimethyl-2H-pyrido(3,4-b)indole
CID 160853
1-(4-methoxyphenyl)-1H-indole
CID 775715
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
4-(4-Methoxyphenyl)-2-methylpyridine
CID 23371780
N,N-Dimethyl-2-(4-(1-methyl-2-phenyl-3-indolizinyl)phenoxy)ethanamine
CID 389733
2-(2-(3-Methoxyphenyl)ethynyl)-5-methylpyridine
CID 16036762
2-methoxy-5-(2-methyl-5-phenyl-1H-pyrrol-1-yl)pyridine
CID 742245
[2-(4-Methoxy-phenyl)-ethyl]-(1-methyl-1H-pyrrol-2-ylmethyl)-amine
CID 17293376
(4-Methoxy-benzyl)-(1-methyl-1H-pyrrol-2-ylmethyl)-amine
CID 17332688

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluoro-4-methoxyphenyl)ethyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 5-[2-(2-fluoro-4-methoxyphenyl)ethyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine (CID 123530085) is 5-[2-(2-fluoro-4-methoxyphenyl)ethyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 5-[2-(2-fluoro-4-methoxyphenyl)ethyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 5-[2-(2-fluoro-4-methoxyphenyl)ethyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine is COc1ccc(CCN2CCc3c(ccn3C)C2)c(F)c1.
What is the InChIKey of 5-[2-(2-fluoro-4-methoxyphenyl)ethyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The InChIKey is FXVRIASWWSRUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-19-8-5-14-12-20(10-7-17(14)19)9-6-13-3-4-15(21-2)11-16(13)18/h3-5,8,11H,6-7,9-10,12H2,1-2H3.
What are the key properties of 5-[2-(2-fluoro-4-methoxyphenyl)ethyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
5-[2-(2-fluoro-4-methoxyphenyl)ethyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine has a molecular weight of 288.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluoro-4-methoxyphenyl)ethyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 123530085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).