2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline

C15H25BrN2O2 — CID 63786690

IUPAC2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
SMILESCOCCCN(CCOC)c1cc(Br)ccc1CCN
InChIInChI=1S/C15H25BrN2O2/c1-19-10-3-8-18(9-11-20-2)15-12-14(16)5-4-13(15)6-7-17/h4-5,12H,3,6-11,17H2,1-2H3
InChIKeyAELFKRKKJFVNIB-UHFFFAOYSA-N
MW345.28 g/mol
LogP2.44
Rot. Bonds10

About 2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline

2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline (PubChem CID 63786690) has the molecular formula C15H25BrN2O2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
PubChem CID63786690
Molecular FormulaC15H25BrN2O2
Molecular Weight345.28 g/mol
Exact Mass344.11
IUPAC Name2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
SMILESCOCCCN(CCOC)c1cc(Br)ccc1CCN
InChIInChI=1S/C15H25BrN2O2/c1-19-10-3-8-18(9-11-20-2)15-12-14(16)5-4-13(15)6-7-17/h4-5,12H,3,6-11,17H2,1-2H3
InChIKeyAELFKRKKJFVNIB-UHFFFAOYSA-N
XLogP2.44
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 61418446
2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline
CID 63782694
2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 63817422
2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol
CID 113467895
2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol
CID 114889791
5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 54949226
2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63786522
2-[4-bromo-2-(2-methoxyethylsulfanyl)phenyl]ethanamine
CID 63819496
2-(2-aminoethyl)-5-bromo-N-(3,5-dimethylphenyl)-N-methylaniline
CID 63787208
2-(aminomethyl)-5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005537
4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline
CID 63783455
5-bromo-2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methoxyethyl)aniline
CID 61447057

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
The IUPAC name of 2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline (CID 63786690) is 2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline is COCCCN(CCOC)c1cc(Br)ccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
The InChIKey is AELFKRKKJFVNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O2/c1-19-10-3-8-18(9-11-20-2)15-12-14(16)5-4-13(15)6-7-17/h4-5,12H,3,6-11,17H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline has a molecular weight of 345.28 g/mol, XLogP of 2.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline is sourced from PubChem (CID 63786690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).