N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline

C15H17F3N2 — CID 66480538

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
SMILESCCn1cccc1CNc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C15H17F3N2/c1-3-20-8-4-5-13(20)10-19-14-9-12(15(16,17)18)7-6-11(14)2/h4-9,19H,3,10H2,1-2H3
InChIKeyPWFFDYBKOVVLNX-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.45
Rot. Bonds4

About N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline

N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline (PubChem CID 66480538) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
PubChem CID66480538
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
SMILESCCn1cccc1CNc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C15H17F3N2/c1-3-20-8-4-5-13(20)10-19-14-9-12(15(16,17)18)7-6-11(14)2/h4-9,19H,3,10H2,1-2H3
InChIKeyPWFFDYBKOVVLNX-UHFFFAOYSA-N
XLogP4.45
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline
CID 66410961
N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline
CID 66413254
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-4-methylaniline
CID 66412091
N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline
CID 66444011
N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66478739
2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 66478762
2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
CID 115951717
N-[(1-ethylpyrrol-2-yl)methyl]-2-iodoaniline
CID 66413670
N-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66479341
N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline
CID 66410705
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480735

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline (CID 66480538) is N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline is CCn1cccc1CNc1cc(C(F)(F)F)ccc1C.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline?
The InChIKey is PWFFDYBKOVVLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c1-3-20-8-4-5-13(20)10-19-14-9-12(15(16,17)18)7-6-11(14)2/h4-9,19H,3,10H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline?
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline has a molecular weight of 282.31 g/mol, XLogP of 4.45, 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-methyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 66480538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).