3-[1-(3-fluorophenyl)pyrrol-2-yl]propan-1-amine

C13H15FN2 — CID 170879074

IUPAC3-[1-(3-fluorophenyl)pyrrol-2-yl]propan-1-amine
SMILESNCCCc1cccn1-c1cccc(F)c1
InChIInChI=1S/C13H15FN2/c14-11-4-1-5-13(10-11)16-9-3-7-12(16)6-2-8-15/h1,3-5,7,9-10H,2,6,8,15H2
InChIKeyPFWRXNDDVSHIEQ-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.51
Rot. Bonds4

About 3-[1-(3-fluorophenyl)pyrrol-2-yl]propan-1-amine

3-[1-(3-fluorophenyl)pyrrol-2-yl]propan-1-amine (PubChem CID 170879074) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)pyrrol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)pyrrol-2-yl]propan-1-amine
PubChem CID170879074
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name3-[1-(3-fluorophenyl)pyrrol-2-yl]propan-1-amine
SMILESNCCCc1cccn1-c1cccc(F)c1
InChIInChI=1S/C13H15FN2/c14-11-4-1-5-13(10-11)16-9-3-7-12(16)6-2-8-15/h1,3-5,7,9-10H,2,6,8,15H2
InChIKeyPFWRXNDDVSHIEQ-UHFFFAOYSA-N
XLogP2.51
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2,4-difluorophenyl)pyrrol-2-yl]propan-1-amine
CID 170879072
2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine
CID 82286447
2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]ethanamine
CID 82285819
2-[1-(4-ethylphenyl)pyrrol-2-yl]ethanamine
CID 82284564
2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine
CID 147131024
3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine
CID 170879075
1-(3-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 175789882
2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine
CID 82282287
6-(3-fluorophenyl)hexan-1-amine
CID 95437731
N,N-dimethyl-3-[1-(3-nitrophenyl)pyrrol-2-yl]propan-1-amine
CID 170867091
2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82282985
3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 83919994

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)pyrrol-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(3-fluorophenyl)pyrrol-2-yl]propan-1-amine (CID 170879074) is 3-[1-(3-fluorophenyl)pyrrol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(3-fluorophenyl)pyrrol-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(3-fluorophenyl)pyrrol-2-yl]propan-1-amine is NCCCc1cccn1-c1cccc(F)c1.
What is the InChIKey of 3-[1-(3-fluorophenyl)pyrrol-2-yl]propan-1-amine?
The InChIKey is PFWRXNDDVSHIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c14-11-4-1-5-13(10-11)16-9-3-7-12(16)6-2-8-15/h1,3-5,7,9-10H,2,6,8,15H2.
What are the key properties of 3-[1-(3-fluorophenyl)pyrrol-2-yl]propan-1-amine?
3-[1-(3-fluorophenyl)pyrrol-2-yl]propan-1-amine has a molecular weight of 218.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)pyrrol-2-yl]propan-1-amine is sourced from PubChem (CID 170879074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).