5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline

C15H20BrF3N2 — CID 63553253

IUPAC5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCCN(CC(F)(F)F)c1cc(Br)ccc1CNC1CC1
InChIInChI=1S/C15H20BrF3N2/c1-2-7-21(10-15(17,18)19)14-8-12(16)4-3-11(14)9-20-13-5-6-13/h3-4,8,13,20H,2,5-7,9-10H2,1H3
InChIKeyATQGMFFWGXVUMZ-UHFFFAOYSA-N
MW365.24 g/mol
LogP4.48
Rot. Bonds7

About 5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline

5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 63553253) has the molecular formula C15H20BrF3N2 and a molecular weight of 365.24 g/mol. Its IUPAC name is 5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID63553253
Molecular FormulaC15H20BrF3N2
Molecular Weight365.24 g/mol
Exact Mass364.08
IUPAC Name5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCCN(CC(F)(F)F)c1cc(Br)ccc1CNC1CC1
InChIInChI=1S/C15H20BrF3N2/c1-2-7-21(10-15(17,18)19)14-8-12(16)4-3-11(14)9-20-13-5-6-13/h3-4,8,13,20H,2,5-7,9-10H2,1H3
InChIKeyATQGMFFWGXVUMZ-UHFFFAOYSA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 63566929
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
CID 43281873
5-bromo-2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methoxyethyl)aniline
CID 61447057
5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline
CID 63550990
4-[(cyclopropylamino)methyl]-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 62129967
2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol
CID 54879396
4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 105389282
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63551172
2-[4-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481489
5-bromo-2-[1-(methylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 82968783
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 63553054
5-bromo-2-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82959718

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline (CID 63553253) is 5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline is CCCN(CC(F)(F)F)c1cc(Br)ccc1CNC1CC1.
What is the InChIKey of 5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is ATQGMFFWGXVUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF3N2/c1-2-7-21(10-15(17,18)19)14-8-12(16)4-3-11(14)9-20-13-5-6-13/h3-4,8,13,20H,2,5-7,9-10H2,1H3.
What are the key properties of 5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 365.24 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 63553253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).