N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-fluoroaniline

C15H19FN2 — CID 79604988

IUPACN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-fluoroaniline
SMILESCCn1c(C)cc(CNc2ccccc2F)c1C
InChIInChI=1S/C15H19FN2/c1-4-18-11(2)9-13(12(18)3)10-17-15-8-6-5-7-14(15)16/h5-9,17H,4,10H2,1-3H3
InChIKeyFVLVMIQPLWZRET-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.88
Rot. Bonds4

About N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-fluoroaniline

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-fluoroaniline (PubChem CID 79604988) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-fluoroaniline
PubChem CID79604988
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-fluoroaniline
SMILESCCn1c(C)cc(CNc2ccccc2F)c1C
InChIInChI=1S/C15H19FN2/c1-4-18-11(2)9-13(12(18)3)10-17-15-8-6-5-7-14(15)16/h5-9,17H,4,10H2,1-3H3
InChIKeyFVLVMIQPLWZRET-UHFFFAOYSA-N
XLogP3.88
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 79604325
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,5-dimethylaniline
CID 79604328
3-bromo-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-fluoroaniline
CID 104776031
3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylbenzamide
CID 79611745
4-bromo-2-ethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline
CID 81292419
2-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]phenol
CID 114331585
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 79604739
4-bromo-2,3-dichloro-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline
CID 107788106
5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-fluorobenzonitrile
CID 79604848
2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline
CID 79612321
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-3-propan-2-ylaniline
CID 79605545
N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline
CID 106862168

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-fluoroaniline?
The IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-fluoroaniline (CID 79604988) is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-fluoroaniline.
What is the SMILES notation for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-fluoroaniline?
The canonical SMILES for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-fluoroaniline is CCn1c(C)cc(CNc2ccccc2F)c1C.
What is the InChIKey of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-fluoroaniline?
The InChIKey is FVLVMIQPLWZRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-4-18-11(2)9-13(12(18)3)10-17-15-8-6-5-7-14(15)16/h5-9,17H,4,10H2,1-3H3.
What are the key properties of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-fluoroaniline?
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-fluoroaniline has a molecular weight of 246.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-fluoroaniline is sourced from PubChem (CID 79604988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).