2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline

C15H25BrN2O — CID 81067248

IUPAC2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline
SMILESCCOCCN(C)c1cc(Br)ccc1CC(N)CC
InChIInChI=1S/C15H25BrN2O/c1-4-14(17)10-12-6-7-13(16)11-15(12)18(3)8-9-19-5-2/h6-7,11,14H,4-5,8-10,17H2,1-3H3
InChIKeyRVPCXQWWIGUUSX-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.20
Rot. Bonds8

About 2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline

2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline (PubChem CID 81067248) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is 2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline
PubChem CID81067248
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline
SMILESCCOCCN(C)c1cc(Br)ccc1CC(N)CC
InChIInChI=1S/C15H25BrN2O/c1-4-14(17)10-12-6-7-13(16)11-15(12)18(3)8-9-19-5-2/h6-7,11,14H,4-5,8-10,17H2,1-3H3
InChIKeyRVPCXQWWIGUUSX-UHFFFAOYSA-N
XLogP3.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2-aminobutyl)-5-bromophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63793805
2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 79859437
2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline
CID 55235251
2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 63817422
2-(2-aminobutyl)-5-bromo-N,N-diethylaniline
CID 63787244
2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline
CID 55235438
2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline
CID 63815629
4-[(1S)-1-aminoethyl]-2-bromo-N-(2-ethoxyethyl)-N-methylaniline
CID 81055137
2-(2-aminobutyl)-5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63795766
2-(2-aminobutyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 63786995
2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline
CID 63786948
[2-[bis(2-ethoxyethyl)amino]-4-bromophenyl]methanol
CID 82951904

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline?
The IUPAC name of 2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline (CID 81067248) is 2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline.
What is the SMILES notation for 2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline?
The canonical SMILES for 2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline is CCOCCN(C)c1cc(Br)ccc1CC(N)CC.
What is the InChIKey of 2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline?
The InChIKey is RVPCXQWWIGUUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-4-14(17)10-12-6-7-13(16)11-15(12)18(3)8-9-19-5-2/h6-7,11,14H,4-5,8-10,17H2,1-3H3.
What are the key properties of 2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline?
2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline has a molecular weight of 329.28 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline is sourced from PubChem (CID 81067248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).