1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]propan-2-amine

C15H19FN2O — CID 104794838

IUPAC1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]propan-2-amine
SMILESCOc1cccc(Cn2cccc2CC(C)N)c1F
InChIInChI=1S/C15H19FN2O/c1-11(17)9-13-6-4-8-18(13)10-12-5-3-7-14(19-2)15(12)16/h3-8,11H,9-10,17H2,1-2H3
InChIKeyJGUONGXLKHIBMP-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.57
Rot. Bonds5

About 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]propan-2-amine

1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]propan-2-amine (PubChem CID 104794838) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]propan-2-amine
PubChem CID104794838
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]propan-2-amine
SMILESCOc1cccc(Cn2cccc2CC(C)N)c1F
InChIInChI=1S/C15H19FN2O/c1-11(17)9-13-6-4-8-18(13)10-12-5-3-7-14(19-2)15(12)16/h3-8,11H,9-10,17H2,1-2H3
InChIKeyJGUONGXLKHIBMP-UHFFFAOYSA-N
XLogP2.57
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 104792951
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721217
1-[1-[(2-methoxy-5-nitrophenyl)methyl]pyrrol-2-yl]propan-2-amine
CID 66406687
N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 104792966
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
[1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine
CID 104792943
1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]propan-2-amine
CID 66405662
5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 104792097
1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
4-amino-1-(2-fluoro-3-methoxyphenyl)pentan-2-one
CID 116555997
1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]propan-2-amine
CID 66404865
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105035477

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]propan-2-amine?
The IUPAC name of 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]propan-2-amine (CID 104794838) is 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]propan-2-amine is COc1cccc(Cn2cccc2CC(C)N)c1F.
What is the InChIKey of 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]propan-2-amine?
The InChIKey is JGUONGXLKHIBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-11(17)9-13-6-4-8-18(13)10-12-5-3-7-14(19-2)15(12)16/h3-8,11H,9-10,17H2,1-2H3.
What are the key properties of 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]propan-2-amine?
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]propan-2-amine has a molecular weight of 262.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]propan-2-amine is sourced from PubChem (CID 104794838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).