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

C13H21BrN2O2 — CID 61418446

IUPAC2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1cc(Br)ccc1CN
InChIInChI=1S/C13H21BrN2O2/c1-17-7-5-16(6-8-18-2)13-9-12(14)4-3-11(13)10-15/h3-4,9H,5-8,10,15H2,1-2H3
InChIKeyBWXSDURULJQOBE-UHFFFAOYSA-N
MW317.23 g/mol
LogP2.01
Rot. Bonds8

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

2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline (PubChem CID 61418446) has the molecular formula C13H21BrN2O2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
PubChem CID61418446
Molecular FormulaC13H21BrN2O2
Molecular Weight317.23 g/mol
Exact Mass316.08
IUPAC Name2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1cc(Br)ccc1CN
InChIInChI=1S/C13H21BrN2O2/c1-17-7-5-16(6-8-18-2)13-9-12(14)4-3-11(13)10-15/h3-4,9H,5-8,10,15H2,1-2H3
InChIKeyBWXSDURULJQOBE-UHFFFAOYSA-N
XLogP2.01
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63786690
2-(aminomethyl)-5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005537
2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 63817422
2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol
CID 114889791
2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol
CID 113467895
2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline
CID 43268985
5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 54949226
2-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)aniline
CID 62308997
2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline
CID 62493985
4-bromo-N,N-bis(2-methoxyethyl)-2-nitroaniline
CID 60647488
5-bromo-2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methoxyethyl)aniline
CID 61447057
2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol
CID 60961571

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline?
The IUPAC name of 2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline (CID 61418446) is 2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline is COCCN(CCOC)c1cc(Br)ccc1CN.
What is the InChIKey of 2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline?
The InChIKey is BWXSDURULJQOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2/c1-17-7-5-16(6-8-18-2)13-9-12(14)4-3-11(13)10-15/h3-4,9H,5-8,10,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline?
2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline has a molecular weight of 317.23 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline is sourced from PubChem (CID 61418446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).