4-fluoro-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline

C16H24FN3 — CID 63167577

IUPAC4-fluoro-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline
SMILESFc1ccc(NCCN2CCC(N3CCCC3)C2)cc1
InChIInChI=1S/C16H24FN3/c17-14-3-5-15(6-4-14)18-8-12-19-11-7-16(13-19)20-9-1-2-10-20/h3-6,16,18H,1-2,7-13H2
InChIKeyOQBSAODSYFDYOM-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.41
Rot. Bonds5

About 4-fluoro-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline

4-fluoro-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline (PubChem CID 63167577) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-fluoro-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline
PubChem CID63167577
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name4-fluoro-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline
SMILESFc1ccc(NCCN2CCC(N3CCCC3)C2)cc1
InChIInChI=1S/C16H24FN3/c17-14-3-5-15(6-4-14)18-8-12-19-11-7-16(13-19)20-9-1-2-10-20/h3-6,16,18H,1-2,7-13H2
InChIKeyOQBSAODSYFDYOM-UHFFFAOYSA-N
XLogP2.41
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]aniline
CID 63167626
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(4-fluorophenyl)butanamide;dihydrochloride
CID 139945202
1-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine
CID 77081809
1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine
CID 99929236
N-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butyl]aniline;trihydrochloride
CID 22252291
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)propan-1-ol
CID 79916131
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline
CID 79924619
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-fluoroaniline
CID 62575931
N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]-4-methylaniline
CID 63502167
(8aS)-2-[4,4-bis(4-fluorophenyl)butyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 1356088
[5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 63289543
2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 45157083

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline?
The IUPAC name of 4-fluoro-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline (CID 63167577) is 4-fluoro-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline?
The canonical SMILES for 4-fluoro-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline is Fc1ccc(NCCN2CCC(N3CCCC3)C2)cc1.
What is the InChIKey of 4-fluoro-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline?
The InChIKey is OQBSAODSYFDYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c17-14-3-5-15(6-4-14)18-8-12-19-11-7-16(13-19)20-9-1-2-10-20/h3-6,16,18H,1-2,7-13H2.
What are the key properties of 4-fluoro-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline?
4-fluoro-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline has a molecular weight of 277.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline is sourced from PubChem (CID 63167577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).