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

C14H17FN2 — CID 66412091

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-4-methylaniline
SMILESCCn1cccc1CNc1ccc(C)cc1F
InChIInChI=1S/C14H17FN2/c1-3-17-8-4-5-12(17)10-16-14-7-6-11(2)9-13(14)15/h4-9,16H,3,10H2,1-2H3
InChIKeyUUJZYAZDFYGZEP-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.57
Rot. Bonds4

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

N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-4-methylaniline (PubChem CID 66412091) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-4-methylaniline
PubChem CID66412091
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-4-methylaniline
SMILESCCn1cccc1CNc1ccc(C)cc1F
InChIInChI=1S/C14H17FN2/c1-3-17-8-4-5-12(17)10-16-14-7-6-11(2)9-13(14)15/h4-9,16H,3,10H2,1-2H3
InChIKeyUUJZYAZDFYGZEP-UHFFFAOYSA-N
XLogP3.57
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline
CID 66411289
N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline
CID 66413254
N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline
CID 66444011
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-5-methylsulfonylaniline
CID 66410951
5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline
CID 66410961
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline
CID 63422204
4-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoroaniline
CID 66445212
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 28879321
2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43230038
N-[(1-ethylpyrrol-2-yl)methyl]-2-iodoaniline
CID 66413670
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline
CID 66411969
N-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
CID 66412524

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-4-methylaniline?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-4-methylaniline (CID 66412091) is N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-4-methylaniline.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-4-methylaniline?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-4-methylaniline is CCn1cccc1CNc1ccc(C)cc1F.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-4-methylaniline?
The InChIKey is UUJZYAZDFYGZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-3-17-8-4-5-12(17)10-16-14-7-6-11(2)9-13(14)15/h4-9,16H,3,10H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-4-methylaniline?
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-4-methylaniline has a molecular weight of 232.30 g/mol, XLogP of 3.57, 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-fluoro-4-methylaniline is sourced from PubChem (CID 66412091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).