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

C14H17FN2 — CID 79104946

IUPAC1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCC(N)c1ccn(Cc2ccccc2F)c1
InChIInChI=1S/C14H17FN2/c1-2-14(16)12-7-8-17(10-12)9-11-5-3-4-6-13(11)15/h3-8,10,14H,2,9,16H2,1H3
InChIKeyUQJWQAMXPWAHCO-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.09
Rot. Bonds4

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

1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]propan-1-amine (PubChem CID 79104946) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]propan-1-amine
PubChem CID79104946
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCC(N)c1ccn(Cc2ccccc2F)c1
InChIInChI=1S/C14H17FN2/c1-2-14(16)12-7-8-17(10-12)9-11-5-3-4-6-13(11)15/h3-8,10,14H,2,9,16H2,1H3
InChIKeyUQJWQAMXPWAHCO-UHFFFAOYSA-N
XLogP3.09
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104615
1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 114930925
1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one
CID 79109445
1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108923
1-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]propan-1-amine
CID 79228556
[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanol
CID 66400172
1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 107307293
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105136
1-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79228447
1-(1-octylpyrrol-3-yl)propan-1-amine
CID 79105838
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105948
1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105314

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]propan-1-amine?
The IUPAC name of 1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]propan-1-amine (CID 79104946) is 1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for 1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]propan-1-amine?
The canonical SMILES for 1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]propan-1-amine is CCC(N)c1ccn(Cc2ccccc2F)c1.
What is the InChIKey of 1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]propan-1-amine?
The InChIKey is UQJWQAMXPWAHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-2-14(16)12-7-8-17(10-12)9-11-5-3-4-6-13(11)15/h3-8,10,14H,2,9,16H2,1H3.
What are the key properties of 1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]propan-1-amine?
1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]propan-1-amine has a molecular weight of 232.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79104946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).