[5-[(2-fluorophenoxy)methyl]-1-methylpyrrol-2-yl]methanamine

C13H15FN2O — CID 105494358

IUPAC[5-[(2-fluorophenoxy)methyl]-1-methylpyrrol-2-yl]methanamine
SMILESCn1c(CN)ccc1COc1ccccc1F
InChIInChI=1S/C13H15FN2O/c1-16-10(8-15)6-7-11(16)9-17-13-5-3-2-4-12(13)14/h2-7H,8-9,15H2,1H3
InChIKeySZBHEWVMSLVKQZ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.20
Rot. Bonds4

About [5-[(2-fluorophenoxy)methyl]-1-methylpyrrol-2-yl]methanamine

[5-[(2-fluorophenoxy)methyl]-1-methylpyrrol-2-yl]methanamine (PubChem CID 105494358) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is [5-[(2-fluorophenoxy)methyl]-1-methylpyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-fluorophenoxy)methyl]-1-methylpyrrol-2-yl]methanamine
PubChem CID105494358
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name[5-[(2-fluorophenoxy)methyl]-1-methylpyrrol-2-yl]methanamine
SMILESCn1c(CN)ccc1COc1ccccc1F
InChIInChI=1S/C13H15FN2O/c1-16-10(8-15)6-7-11(16)9-17-13-5-3-2-4-12(13)14/h2-7H,8-9,15H2,1H3
InChIKeySZBHEWVMSLVKQZ-UHFFFAOYSA-N
XLogP2.20
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenoxy)methyl]-1-methylindol-5-ol
CID 117176717
[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methanamine
CID 62454744
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765
[2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine
CID 114199215
3-[(2-fluorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 117255900
3-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464415
5-fluoro-2-[(2-fluorophenoxy)methyl]pyridine
CID 123573054
3-[(2-fluorophenoxy)methyl]-1-methylindol-7-amine
CID 117181881
3-[(2-fluorophenoxy)methyl]-1-methylindol-4-amine
CID 117171279
4-[(2-fluorophenoxy)methyl]-1-propan-2-ylimidazole
CID 117191877
(2-fluoro-6-phenylmethoxyphenyl)methanamine
CID 23071556
2-fluoro-3-(2-fluorophenoxy)-2-methylpropan-1-amine
CID 105453372

Frequently Asked Questions

What is the IUPAC name of [5-[(2-fluorophenoxy)methyl]-1-methylpyrrol-2-yl]methanamine?
The IUPAC name of [5-[(2-fluorophenoxy)methyl]-1-methylpyrrol-2-yl]methanamine (CID 105494358) is [5-[(2-fluorophenoxy)methyl]-1-methylpyrrol-2-yl]methanamine.
What is the SMILES notation for [5-[(2-fluorophenoxy)methyl]-1-methylpyrrol-2-yl]methanamine?
The canonical SMILES for [5-[(2-fluorophenoxy)methyl]-1-methylpyrrol-2-yl]methanamine is Cn1c(CN)ccc1COc1ccccc1F.
What is the InChIKey of [5-[(2-fluorophenoxy)methyl]-1-methylpyrrol-2-yl]methanamine?
The InChIKey is SZBHEWVMSLVKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-16-10(8-15)6-7-11(16)9-17-13-5-3-2-4-12(13)14/h2-7H,8-9,15H2,1H3.
What are the key properties of [5-[(2-fluorophenoxy)methyl]-1-methylpyrrol-2-yl]methanamine?
[5-[(2-fluorophenoxy)methyl]-1-methylpyrrol-2-yl]methanamine has a molecular weight of 234.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-fluorophenoxy)methyl]-1-methylpyrrol-2-yl]methanamine is sourced from PubChem (CID 105494358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).