2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline

C16H27BrN2O2 — CID 63817422

IUPAC2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
SMILESCCC(N)Cc1ccc(Br)cc1N(CCOC)CCOC
InChIInChI=1S/C16H27BrN2O2/c1-4-15(18)11-13-5-6-14(17)12-16(13)19(7-9-20-2)8-10-21-3/h5-6,12,15H,4,7-11,18H2,1-3H3
InChIKeyWTCJVSNKHKHLMG-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.83
Rot. Bonds10

About 2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline

2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline (PubChem CID 63817422) has the molecular formula C16H27BrN2O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
PubChem CID63817422
Molecular FormulaC16H27BrN2O2
Molecular Weight359.31 g/mol
Exact Mass358.13
IUPAC Name2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
SMILESCCC(N)Cc1ccc(Br)cc1N(CCOC)CCOC
InChIInChI=1S/C16H27BrN2O2/c1-4-15(18)11-13-5-6-14(17)12-16(13)19(7-9-20-2)8-10-21-3/h5-6,12,15H,4,7-11,18H2,1-3H3
InChIKeyWTCJVSNKHKHLMG-UHFFFAOYSA-N
XLogP2.83
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline
CID 114861459
2-(2-aminobutyl)-5-bromo-N,N-diethylaniline
CID 63787244
2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 61418446
2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline
CID 81067248
2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63815111
2-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 55236804
2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63786690
4-bromo-2-N-(2-methoxyethyl)-2-N-pentan-3-ylbenzene-1,2-diamine
CID 65342498
N'-[2-(2-aminobutyl)-5-bromophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63793805
5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 54949226
2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline
CID 55235438
2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline
CID 63815629

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline?
The IUPAC name of 2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline (CID 63817422) is 2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline.
What is the SMILES notation for 2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline?
The canonical SMILES for 2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline is CCC(N)Cc1ccc(Br)cc1N(CCOC)CCOC.
What is the InChIKey of 2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline?
The InChIKey is WTCJVSNKHKHLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2O2/c1-4-15(18)11-13-5-6-14(17)12-16(13)19(7-9-20-2)8-10-21-3/h5-6,12,15H,4,7-11,18H2,1-3H3.
What are the key properties of 2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline?
2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline has a molecular weight of 359.31 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline is sourced from PubChem (CID 63817422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).