2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline

C14H23BrN2 — CID 63782694

IUPAC2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline
SMILESCCCCN(CC)c1cc(Br)ccc1CCN
InChIInChI=1S/C14H23BrN2/c1-3-5-10-17(4-2)14-11-13(15)7-6-12(14)8-9-16/h6-7,11H,3-5,8-10,16H2,1-2H3
InChIKeyAJZBGTXMAHRHTI-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.58
Rot. Bonds7

About 2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline

2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline (PubChem CID 63782694) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline
PubChem CID63782694
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline
SMILESCCCCN(CC)c1cc(Br)ccc1CCN
InChIInChI=1S/C14H23BrN2/c1-3-5-10-17(4-2)14-11-13(15)7-6-12(14)8-9-16/h6-7,11H,3-5,8-10,16H2,1-2H3
InChIKeyAJZBGTXMAHRHTI-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline
CID 43268985
2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63786690
N'-[2-(2-aminoethyl)-5-chlorophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102998248
4-bromo-N-butyl-2-chloro-N-ethylaniline
CID 146004064
4-(2-aminoethyl)-N-butyl-N-ethyl-2-methylaniline
CID 63782866
2-(2-aminoethyl)-N-ethyl-N-propylaniline
CID 63782884
4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline
CID 63783395
1-[5-bromo-2-[butyl(ethyl)amino]phenyl]ethanone
CID 82966709
2-(2-aminoethyl)-5-(dibutylamino)phenol
CID 170868882
2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline
CID 65486388
2-(2-aminobutyl)-5-bromo-N,N-diethylaniline
CID 63787244
2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008972

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline?
The IUPAC name of 2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline (CID 63782694) is 2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline.
What is the SMILES notation for 2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline?
The canonical SMILES for 2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline is CCCCN(CC)c1cc(Br)ccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline?
The InChIKey is AJZBGTXMAHRHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-3-5-10-17(4-2)14-11-13(15)7-6-12(14)8-9-16/h6-7,11H,3-5,8-10,16H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline?
2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline has a molecular weight of 299.26 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline is sourced from PubChem (CID 63782694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).