N-[1-(2-fluorophenyl)propyl]pyrrol-1-amine

C13H15FN2 — CID 112677047

IUPACN-[1-(2-fluorophenyl)propyl]pyrrol-1-amine
SMILESCCC(Nn1cccc1)c1ccccc1F
InChIInChI=1S/C13H15FN2/c1-2-13(15-16-9-5-6-10-16)11-7-3-4-8-12(11)14/h3-10,13,15H,2H2,1H3
InChIKeyJQVXLYMKKHYTND-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.32
Rot. Bonds4

About N-[1-(2-fluorophenyl)propyl]pyrrol-1-amine

N-[1-(2-fluorophenyl)propyl]pyrrol-1-amine (PubChem CID 112677047) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propyl]pyrrol-1-amine
PubChem CID112677047
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC NameN-[1-(2-fluorophenyl)propyl]pyrrol-1-amine
SMILESCCC(Nn1cccc1)c1ccccc1F
InChIInChI=1S/C13H15FN2/c1-2-13(15-16-9-5-6-10-16)11-7-3-4-8-12(11)14/h3-10,13,15H,2H2,1H3
InChIKeyJQVXLYMKKHYTND-UHFFFAOYSA-N
XLogP3.32
TPSA16.96 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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
N-[1-(4-methylphenyl)propyl]pyrrol-1-amine
CID 79090108
3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676975
1-ethyl-N-[(1R)-1-(2-fluorophenyl)propyl]piperidin-4-amine
CID 99717003
(R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide
CID 99646735
1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 112632384
2-[1-(2-fluorophenyl)propylamino]acetamide
CID 112676826
(2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol
CID 103948350
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81380238
N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 112632402

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propyl]pyrrol-1-amine?
The IUPAC name of N-[1-(2-fluorophenyl)propyl]pyrrol-1-amine (CID 112677047) is N-[1-(2-fluorophenyl)propyl]pyrrol-1-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)propyl]pyrrol-1-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)propyl]pyrrol-1-amine is CCC(Nn1cccc1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)propyl]pyrrol-1-amine?
The InChIKey is JQVXLYMKKHYTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-2-13(15-16-9-5-6-10-16)11-7-3-4-8-12(11)14/h3-10,13,15H,2H2,1H3.
What are the key properties of N-[1-(2-fluorophenyl)propyl]pyrrol-1-amine?
N-[1-(2-fluorophenyl)propyl]pyrrol-1-amine has a molecular weight of 218.28 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)propyl]pyrrol-1-amine is sourced from PubChem (CID 112677047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).