4-bromo-N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline

C15H20BrF3N2 — CID 106641749

IUPAC4-bromo-N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline
SMILESCCN(CC1CCCCN1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H20BrF3N2/c1-2-21(10-12-5-3-4-8-20-12)14-7-6-11(16)9-13(14)15(17,18)19/h6-7,9,12,20H,2-5,8,10H2,1H3
InChIKeyODJNRWKPKNXKEN-UHFFFAOYSA-N
MW365.24 g/mol
LogP4.44
Rot. Bonds4

About 4-bromo-N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline

4-bromo-N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline (PubChem CID 106641749) has the molecular formula C15H20BrF3N2 and a molecular weight of 365.24 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline
PubChem CID106641749
Molecular FormulaC15H20BrF3N2
Molecular Weight365.24 g/mol
Exact Mass364.08
IUPAC Name4-bromo-N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline
SMILESCCN(CC1CCCCN1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H20BrF3N2/c1-2-21(10-12-5-3-4-8-20-12)14-7-6-11(16)9-13(14)15(17,18)19/h6-7,9,12,20H,2-5,8,10H2,1H3
InChIKeyODJNRWKPKNXKEN-UHFFFAOYSA-N
XLogP4.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796659
3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide
CID 106641907
N-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106622610
2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile
CID 106641641
2-[2-(5-bromo-2-methylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840165
3-chloro-4-[ethyl(piperidin-2-ylmethyl)amino]benzonitrile
CID 106641555
4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline
CID 79541571
N-(pyrrolidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106603566
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603362
2-bromo-6-[ethyl(piperidin-2-ylmethyl)amino]benzonitrile
CID 106641728
N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 102819482
5-bromo-N-ethyl-6-methyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 114046810

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline (CID 106641749) is 4-bromo-N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline is CCN(CC1CCCCN1)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline?
The InChIKey is ODJNRWKPKNXKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF3N2/c1-2-21(10-12-5-3-4-8-20-12)14-7-6-11(16)9-13(14)15(17,18)19/h6-7,9,12,20H,2-5,8,10H2,1H3.
What are the key properties of 4-bromo-N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline?
4-bromo-N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline has a molecular weight of 365.24 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 106641749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).