2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline

C16H18Br2N2 — CID 82972205

IUPAC2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline
SMILESCC(N)c1ccc(Br)cc1N(C)Cc1cccc(Br)c1
InChIInChI=1S/C16H18Br2N2/c1-11(19)15-7-6-14(18)9-16(15)20(2)10-12-4-3-5-13(17)8-12/h3-9,11H,10,19H2,1-2H3
InChIKeyWKNUOQYMFZOYJF-UHFFFAOYSA-N
MW398.14 g/mol
LogP4.87
Rot. Bonds4

About 2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline

2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline (PubChem CID 82972205) has the molecular formula C16H18Br2N2 and a molecular weight of 398.14 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline
PubChem CID82972205
Molecular FormulaC16H18Br2N2
Molecular Weight398.14 g/mol
Exact Mass395.98
IUPAC Name2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline
SMILESCC(N)c1ccc(Br)cc1N(C)Cc1cccc(Br)c1
InChIInChI=1S/C16H18Br2N2/c1-11(19)15-7-6-14(18)9-16(15)20(2)10-12-4-3-5-13(17)8-12/h3-9,11H,10,19H2,1-2H3
InChIKeyWKNUOQYMFZOYJF-UHFFFAOYSA-N
XLogP4.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.14
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminoethyl)-4-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 82972283
4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 61415618
2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 63815166
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 82968110
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 82971346
4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide
CID 114904462
(1S)-1-[3-bromo-4-[(3-bromophenyl)methyl-methylamino]phenyl]ethanol
CID 78944655
1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol
CID 61416210
2-(1-aminoethyl)-4-bromo-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 82956592
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-methylphenyl)aniline
CID 82968647
N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline
CID 60965802
1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 82970103

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline?
The IUPAC name of 2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline (CID 82972205) is 2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline?
The canonical SMILES for 2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline is CC(N)c1ccc(Br)cc1N(C)Cc1cccc(Br)c1.
What is the InChIKey of 2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline?
The InChIKey is WKNUOQYMFZOYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Br2N2/c1-11(19)15-7-6-14(18)9-16(15)20(2)10-12-4-3-5-13(17)8-12/h3-9,11H,10,19H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline?
2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline has a molecular weight of 398.14 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 82972205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).