2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine

C8H13FN2 — CID 130478299

IUPAC2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
SMILESCn1ccc(CNCCF)c1
InChIInChI=1S/C8H13FN2/c1-11-5-2-8(7-11)6-10-4-3-9/h2,5,7,10H,3-4,6H2,1H3
InChIKeyMHLALSFHZVINAL-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.08
Rot. Bonds4

About 2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine

2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine (PubChem CID 130478299) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
PubChem CID130478299
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
SMILESCn1ccc(CNCCF)c1
InChIInChI=1S/C8H13FN2/c1-11-5-2-8(7-11)6-10-4-3-9/h2,5,7,10H,3-4,6H2,1H3
InChIKeyMHLALSFHZVINAL-UHFFFAOYSA-N
XLogP1.08
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,4,4-trifluoro-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine
CID 115516568
N-[(1-methylpyrrol-3-yl)methyl]but-3-yn-1-amine
CID 66397506
5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine
CID 115325132
5,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine
CID 115867925
N-[(1-methylpyrrol-3-yl)methyl]prop-2-en-1-amine
CID 66399137
N-[(1-methylpyrrol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 115867950
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 104624930
2-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66397924
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 66400598
1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 115868047
3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
CID 66397923
1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 66399003

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of 2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine (CID 130478299) is 2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine is Cn1ccc(CNCCF)c1.
What is the InChIKey of 2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is MHLALSFHZVINAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-11-5-2-8(7-11)6-10-4-3-9/h2,5,7,10H,3-4,6H2,1H3.
What are the key properties of 2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 156.20 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 130478299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).