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

C13H15FN2 — CID 66404826

IUPAC2-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]ethanamine
SMILESNCCc1ccn(Cc2cccc(F)c2)c1
InChIInChI=1S/C13H15FN2/c14-13-3-1-2-12(8-13)10-16-7-5-11(9-16)4-6-15/h1-3,5,7-9H,4,6,10,15H2
InChIKeyDVSVZJWTAJBEBS-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.18
Rot. Bonds4

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

2-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]ethanamine (PubChem CID 66404826) has the molecular formula C13H15FN2 and a molecular weight of 218.27 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]ethanamine
PubChem CID66404826
Molecular FormulaC13H15FN2
Molecular Weight218.27 g/mol
Exact Mass218.12
IUPAC Name2-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]ethanamine
SMILESNCCc1ccn(Cc2cccc(F)c2)c1
InChIInChI=1S/C13H15FN2/c14-13-3-1-2-12(8-13)10-16-7-5-11(9-16)4-6-15/h1-3,5,7-9H,4,6,10,15H2
InChIKeyDVSVZJWTAJBEBS-UHFFFAOYSA-N
XLogP2.18
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405167
1-[(3-fluorophenyl)methyl]pyridin-4-imine;hydrochloride
CID 16682222
[1-[(3-methoxyphenyl)methyl]pyrrol-3-yl]methanamine
CID 66408417
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 63279067
2-(3-fluorophenyl)ethanamine;undecan-1-amine
CID 158185766
N-ethyl-1-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097640
6-(3-fluorophenyl)hexan-1-amine
CID 95437731
5-amino-1-[(3-fluorophenyl)methyl]pyrimidin-4-one
CID 115114391
[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine
CID 62223886
2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82282985
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrol-3-yl]methanamine
CID 102617081
3-[1-(2,2-difluoroethyl)pyrrol-3-yl]propan-1-amine
CID 84661423

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]ethanamine?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]ethanamine (CID 66404826) is 2-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]ethanamine is NCCc1ccn(Cc2cccc(F)c2)c1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]ethanamine?
The InChIKey is DVSVZJWTAJBEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c14-13-3-1-2-12(8-13)10-16-7-5-11(9-16)4-6-15/h1-3,5,7-9H,4,6,10,15H2.
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]ethanamine?
2-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]ethanamine has a molecular weight of 218.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]ethanamine is sourced from PubChem (CID 66404826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).