2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline

C11H14BrF3N2 — CID 55008972

IUPAC2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1cc(Br)ccc1CN
InChIInChI=1S/C11H14BrF3N2/c1-2-17(7-11(13,14)15)10-5-9(12)4-3-8(10)6-16/h3-5H,2,6-7,16H2,1H3
InChIKeyDUVQADAQJZDGKT-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.30
Rot. Bonds4

About 2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline

2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 55008972) has the molecular formula C11H14BrF3N2 and a molecular weight of 311.15 g/mol. Its IUPAC name is 2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID55008972
Molecular FormulaC11H14BrF3N2
Molecular Weight311.15 g/mol
Exact Mass310.03
IUPAC Name2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1cc(Br)ccc1CN
InChIInChI=1S/C11H14BrF3N2/c1-2-17(7-11(13,14)15)10-5-9(12)4-3-8(10)6-16/h3-5H,2,6-7,16H2,1H3
InChIKeyDUVQADAQJZDGKT-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 63795586
2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline
CID 43268985
5-bromo-2-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 63566929
2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 114889509
4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 113295424
2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 61418446
4-(aminomethyl)-3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 107274847
4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)aniline
CID 82968573
2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline
CID 43264393
5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 63553253
2-(2-aminobutyl)-5-bromo-N,N-diethylaniline
CID 63787244
4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 63087010

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline (CID 55008972) is 2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline is CCN(CC(F)(F)F)c1cc(Br)ccc1CN.
What is the InChIKey of 2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is DUVQADAQJZDGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF3N2/c1-2-17(7-11(13,14)15)10-5-9(12)4-3-8(10)6-16/h3-5H,2,6-7,16H2,1H3.
What are the key properties of 2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline?
2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 311.15 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 55008972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).