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

C14H17FN2 — CID 66413254

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline
SMILESCCn1cccc1CNc1ccc(F)cc1C
InChIInChI=1S/C14H17FN2/c1-3-17-8-4-5-13(17)10-16-14-7-6-12(15)9-11(14)2/h4-9,16H,3,10H2,1-2H3
InChIKeyONFRSVNGNGYAAP-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.57
Rot. Bonds4

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

N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline (PubChem CID 66413254) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline
PubChem CID66413254
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline
SMILESCCn1cccc1CNc1ccc(F)cc1C
InChIInChI=1S/C14H17FN2/c1-3-17-8-4-5-13(17)10-16-14-7-6-12(15)9-11(14)2/h4-9,16H,3,10H2,1-2H3
InChIKeyONFRSVNGNGYAAP-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-fluoro-4-methylaniline
CID 66412091
N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline
CID 66410705
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline
CID 66411969
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline
CID 66411289
N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline
CID 66444011
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480538
5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline
CID 66410961
N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline
CID 29043434
N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
CID 66411865
N-[(1-ethylpyrrol-2-yl)methyl]-2-iodoaniline
CID 66413670
N-[(1-ethylpyrrol-2-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 66413076
N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 114346652

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline (CID 66413254) is N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline is CCn1cccc1CNc1ccc(F)cc1C.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline?
The InChIKey is ONFRSVNGNGYAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-3-17-8-4-5-13(17)10-16-14-7-6-12(15)9-11(14)2/h4-9,16H,3,10H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline?
N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-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]-4-fluoro-2-methylaniline is sourced from PubChem (CID 66413254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).