2-(aminomethyl)-5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline

C14H23BrN2O2 — CID 55005537

IUPAC2-(aminomethyl)-5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
SMILESCOCCN(c1cc(Br)ccc1CN)C(C)COC
InChIInChI=1S/C14H23BrN2O2/c1-11(10-19-3)17(6-7-18-2)14-8-13(15)5-4-12(14)9-16/h4-5,8,11H,6-7,9-10,16H2,1-3H3
InChIKeyRADGIQFWIBEGTF-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.40
Rot. Bonds8

About 2-(aminomethyl)-5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline

2-(aminomethyl)-5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline (PubChem CID 55005537) has the molecular formula C14H23BrN2O2 and a molecular weight of 331.25 g/mol. Its IUPAC name is 2-(aminomethyl)-5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
PubChem CID55005537
Molecular FormulaC14H23BrN2O2
Molecular Weight331.25 g/mol
Exact Mass330.09
IUPAC Name2-(aminomethyl)-5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
SMILESCOCCN(c1cc(Br)ccc1CN)C(C)COC
InChIInChI=1S/C14H23BrN2O2/c1-11(10-19-3)17(6-7-18-2)14-8-13(15)5-4-12(14)9-16/h4-5,8,11H,6-7,9-10,16H2,1-3H3
InChIKeyRADGIQFWIBEGTF-UHFFFAOYSA-N
XLogP2.40
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005331
2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 61418446
2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 114889558
2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82968759
4-bromo-2-N-(2-methoxyethyl)-2-N-pentan-3-ylbenzene-1,2-diamine
CID 65342498
5-bromo-2-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82959718
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-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline
CID 43268985
5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline
CID 82956232
2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-methylaniline
CID 82971357
4-(bromomethyl)-2-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 107082042

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline?
The IUPAC name of 2-(aminomethyl)-5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline (CID 55005537) is 2-(aminomethyl)-5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline.
What is the SMILES notation for 2-(aminomethyl)-5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline?
The canonical SMILES for 2-(aminomethyl)-5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline is COCCN(c1cc(Br)ccc1CN)C(C)COC.
What is the InChIKey of 2-(aminomethyl)-5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline?
The InChIKey is RADGIQFWIBEGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2/c1-11(10-19-3)17(6-7-18-2)14-8-13(15)5-4-12(14)9-16/h4-5,8,11H,6-7,9-10,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline?
2-(aminomethyl)-5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline has a molecular weight of 331.25 g/mol, XLogP of 2.40, 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-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline is sourced from PubChem (CID 55005537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).