2-(2-aminobutyl)-5-bromo-N,N-diethylaniline

C14H23BrN2 — CID 63787244

IUPAC2-(2-aminobutyl)-5-bromo-N,N-diethylaniline
SMILESCCC(N)Cc1ccc(Br)cc1N(CC)CC
InChIInChI=1S/C14H23BrN2/c1-4-13(16)9-11-7-8-12(15)10-14(11)17(5-2)6-3/h7-8,10,13H,4-6,9,16H2,1-3H3
InChIKeyJHVSQMOJOXXFLB-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.58
Rot. Bonds6

About 2-(2-aminobutyl)-5-bromo-N,N-diethylaniline

2-(2-aminobutyl)-5-bromo-N,N-diethylaniline (PubChem CID 63787244) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-(2-aminobutyl)-5-bromo-N,N-diethylaniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-5-bromo-N,N-diethylaniline
PubChem CID63787244
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name2-(2-aminobutyl)-5-bromo-N,N-diethylaniline
SMILESCCC(N)Cc1ccc(Br)cc1N(CC)CC
InChIInChI=1S/C14H23BrN2/c1-4-13(16)9-11-7-8-12(15)10-14(11)17(5-2)6-3/h7-8,10,13H,4-6,9,16H2,1-3H3
InChIKeyJHVSQMOJOXXFLB-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 63817422
2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline
CID 55235438
2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline
CID 55235251
N'-[2-(2-aminobutyl)-5-bromophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63793805
2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline
CID 63815629
2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline
CID 81067248
2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 79859437
2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 63795586
5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline
CID 43280334
2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline
CID 107402418
2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline
CID 63786948
2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline
CID 43268985

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-5-bromo-N,N-diethylaniline?
The IUPAC name of 2-(2-aminobutyl)-5-bromo-N,N-diethylaniline (CID 63787244) is 2-(2-aminobutyl)-5-bromo-N,N-diethylaniline.
What is the SMILES notation for 2-(2-aminobutyl)-5-bromo-N,N-diethylaniline?
The canonical SMILES for 2-(2-aminobutyl)-5-bromo-N,N-diethylaniline is CCC(N)Cc1ccc(Br)cc1N(CC)CC.
What is the InChIKey of 2-(2-aminobutyl)-5-bromo-N,N-diethylaniline?
The InChIKey is JHVSQMOJOXXFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-4-13(16)9-11-7-8-12(15)10-14(11)17(5-2)6-3/h7-8,10,13H,4-6,9,16H2,1-3H3.
What are the key properties of 2-(2-aminobutyl)-5-bromo-N,N-diethylaniline?
2-(2-aminobutyl)-5-bromo-N,N-diethylaniline has a molecular weight of 299.26 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-5-bromo-N,N-diethylaniline is sourced from PubChem (CID 63787244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).