2-(2-aminoethyl)-5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline

C14H19BrN4 — CID 63782936

IUPAC2-(2-aminoethyl)-5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCN(Cc1nccn1C)c1cc(Br)ccc1CCN
InChIInChI=1S/C14H19BrN4/c1-18-8-7-17-14(18)10-19(2)13-9-12(15)4-3-11(13)5-6-16/h3-4,7-9H,5-6,10,16H2,1-2H3
InChIKeyLQYBNGFFNBEBSE-UHFFFAOYSA-N
MW323.24 g/mol
LogP2.32
Rot. Bonds5

About 2-(2-aminoethyl)-5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline

2-(2-aminoethyl)-5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline (PubChem CID 63782936) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
PubChem CID63782936
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name2-(2-aminoethyl)-5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCN(Cc1nccn1C)c1cc(Br)ccc1CCN
InChIInChI=1S/C14H19BrN4/c1-18-8-7-17-14(18)10-19(2)13-9-12(15)4-3-11(13)5-6-16/h3-4,7-9H,5-6,10,16H2,1-2H3
InChIKeyLQYBNGFFNBEBSE-UHFFFAOYSA-N
XLogP2.32
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]benzene-1,2-diamine
CID 63013204
2-(aminomethyl)-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 55181751
1-(4-bromo-2-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 60695988
2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 63783047
2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline
CID 63786210
4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935606
2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline
CID 65486388
2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 114861618
4-(bromomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 107083191
4-bromo-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47120153
2-amino-4-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61140335
2-(difluoromethyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
CID 63735656

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The IUPAC name of 2-(2-aminoethyl)-5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline (CID 63782936) is 2-(2-aminoethyl)-5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-(2-aminoethyl)-5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 2-(2-aminoethyl)-5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline is CN(Cc1nccn1C)c1cc(Br)ccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The InChIKey is LQYBNGFFNBEBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-18-8-7-17-14(18)10-19(2)13-9-12(15)4-3-11(13)5-6-16/h3-4,7-9H,5-6,10,16H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
2-(2-aminoethyl)-5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline has a molecular weight of 323.24 g/mol, XLogP of 2.32, 5 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-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 63782936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).