2-[1-(3-fluoropropyl)pyrrol-3-yl]ethanamine

C9H15FN2 — CID 84653816

IUPAC2-[1-(3-fluoropropyl)pyrrol-3-yl]ethanamine
SMILESNCCc1ccn(CCCF)c1
InChIInChI=1S/C9H15FN2/c10-4-1-6-12-7-3-9(8-12)2-5-11/h3,7-8H,1-2,4-6,11H2
InChIKeyCOSJQJQIXQRGJH-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.35
Rot. Bonds5

About 2-[1-(3-fluoropropyl)pyrrol-3-yl]ethanamine

2-[1-(3-fluoropropyl)pyrrol-3-yl]ethanamine (PubChem CID 84653816) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-[1-(3-fluoropropyl)pyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-fluoropropyl)pyrrol-3-yl]ethanamine
PubChem CID84653816
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name2-[1-(3-fluoropropyl)pyrrol-3-yl]ethanamine
SMILESNCCc1ccn(CCCF)c1
InChIInChI=1S/C9H15FN2/c10-4-1-6-12-7-3-9(8-12)2-5-11/h3,7-8H,1-2,4-6,11H2
InChIKeyCOSJQJQIXQRGJH-UHFFFAOYSA-N
XLogP1.35
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-propylpyrrol-3-yl)ethanamine
CID 66405428
4-[3-(2-aminoethyl)pyrrol-1-yl]-2,2-dimethylbutanenitrile
CID 66406037
3-[1-(2,2-difluoroethyl)pyrrol-3-yl]propan-1-amine
CID 84661423
2-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]ethanamine
CID 66406852
1,3-dibutylpyrrole;hydrochloride
CID 175874933
[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]methanamine
CID 115515089
2-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]ethanamine
CID 66404826
2-[4-(3-fluoropropyl)phenyl]ethanamine
CID 84658157
1-(3-fluoropropyl)pyridin-4-one
CID 116622406
2-[1-(2-ethylhexyl)pyrrol-3-yl]ethanamine
CID 66404829
1-dodecyl-3-propylpyrrole;formonitrile
CID 175849627
3-(1-methylpyrrol-3-yl)propan-1-amine
CID 82280072

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoropropyl)pyrrol-3-yl]ethanamine?
The IUPAC name of 2-[1-(3-fluoropropyl)pyrrol-3-yl]ethanamine (CID 84653816) is 2-[1-(3-fluoropropyl)pyrrol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-fluoropropyl)pyrrol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(3-fluoropropyl)pyrrol-3-yl]ethanamine is NCCc1ccn(CCCF)c1.
What is the InChIKey of 2-[1-(3-fluoropropyl)pyrrol-3-yl]ethanamine?
The InChIKey is COSJQJQIXQRGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c10-4-1-6-12-7-3-9(8-12)2-5-11/h3,7-8H,1-2,4-6,11H2.
What are the key properties of 2-[1-(3-fluoropropyl)pyrrol-3-yl]ethanamine?
2-[1-(3-fluoropropyl)pyrrol-3-yl]ethanamine has a molecular weight of 170.23 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoropropyl)pyrrol-3-yl]ethanamine is sourced from PubChem (CID 84653816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).