N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline

C13H15FN2 — CID 66410705

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline
SMILESCCn1cccc1CNc1ccc(F)cc1
InChIInChI=1S/C13H15FN2/c1-2-16-9-3-4-13(16)10-15-12-7-5-11(14)6-8-12/h3-9,15H,2,10H2,1H3
InChIKeyZIBWDVMSHOCQSE-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.26
Rot. Bonds4

About N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline

N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline (PubChem CID 66410705) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline
PubChem CID66410705
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline
SMILESCCn1cccc1CNc1ccc(F)cc1
InChIInChI=1S/C13H15FN2/c1-2-16-9-3-4-13(16)10-15-12-7-5-11(14)6-8-12/h3-9,15H,2,10H2,1H3
InChIKeyZIBWDVMSHOCQSE-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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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-4-iodoaniline
CID 66413470
N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide
CID 66411151
4-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoroaniline
CID 66445212
N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 66412112
N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline
CID 66413254
N-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine
CID 66411324
N-[(1-ethylpyrrol-2-yl)methyl]-6-methoxypyridin-3-amine
CID 66411078
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline
CID 66411289
N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline
CID 66444011
N-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
CID 66412524
2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenoxy]acetonitrile
CID 66410714
tert-butyl N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]carbamate
CID 107240502

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline (CID 66410705) is N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline is CCn1cccc1CNc1ccc(F)cc1.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline?
The InChIKey is ZIBWDVMSHOCQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-2-16-9-3-4-13(16)10-15-12-7-5-11(14)6-8-12/h3-9,15H,2,10H2,1H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline?
N-[(1-ethylpyrrol-2-yl)methyl]-4-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]-4-fluoroaniline is sourced from PubChem (CID 66410705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).