4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluoroaniline

C13H19FN2 — CID 29038584

IUPAC4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluoroaniline
SMILESC[C@H](NC1CCCC1)c1ccc(N)c(F)c1
InChIInChI=1S/C13H19FN2/c1-9(16-11-4-2-3-5-11)10-6-7-13(15)12(14)8-10/h6-9,11,16H,2-5,15H2,1H3/t9-/m0/s1
InChIKeyGQEFGWPZDKTNDD-VIFPVBQESA-N
MW222.31 g/mol
LogP3.00
Rot. Bonds3

About 4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluoroaniline

4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluoroaniline (PubChem CID 29038584) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluoroaniline
PubChem CID29038584
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluoroaniline
SMILESC[C@H](NC1CCCC1)c1ccc(N)c(F)c1
InChIInChI=1S/C13H19FN2/c1-9(16-11-4-2-3-5-11)10-6-7-13(15)12(14)8-10/h6-9,11,16H,2-5,15H2,1H3/t9-/m0/s1
InChIKeyGQEFGWPZDKTNDD-VIFPVBQESA-N
XLogP3.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluoroaniline?
The IUPAC name of 4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluoroaniline (CID 29038584) is 4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluoroaniline.
What is the SMILES notation for 4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluoroaniline?
The canonical SMILES for 4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluoroaniline is C[C@H](NC1CCCC1)c1ccc(N)c(F)c1.
What is the InChIKey of 4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluoroaniline?
The InChIKey is GQEFGWPZDKTNDD-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19FN2/c1-9(16-11-4-2-3-5-11)10-6-7-13(15)12(14)8-10/h6-9,11,16H,2-5,15H2,1H3/t9-/m0/s1.
What are the key properties of 4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluoroaniline?
4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluoroaniline has a molecular weight of 222.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluoroaniline is sourced from PubChem (CID 29038584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).