N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline

C13H15FN2 — CID 66411289

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline
SMILESCCn1cccc1CNc1ccccc1F
InChIInChI=1S/C13H15FN2/c1-2-16-9-5-6-11(16)10-15-13-8-4-3-7-12(13)14/h3-9,15H,2,10H2,1H3
InChIKeyWYJRBRVHEORKKQ-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.26
Rot. Bonds4

About N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline

N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline (PubChem CID 66411289) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline
PubChem CID66411289
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline
SMILESCCn1cccc1CNc1ccccc1F
InChIInChI=1S/C13H15FN2/c1-2-16-9-5-6-11(16)10-15-13-8-4-3-7-12(13)14/h3-9,15H,2,10H2,1H3
InChIKeyWYJRBRVHEORKKQ-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline (CID 66411289) is N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline is CCn1cccc1CNc1ccccc1F.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline?
The InChIKey is WYJRBRVHEORKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-2-16-9-5-6-11(16)10-15-13-8-4-3-7-12(13)14/h3-9,15H,2,10H2,1H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline?
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline has a molecular weight of 218.28 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline is sourced from PubChem (CID 66411289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).