1-(4-bromo-3-methylphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine

C13H16BrN3 — CID 66472439

IUPAC1-(4-bromo-3-methylphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCc1cc(CNCc2nccn2C)ccc1Br
InChIInChI=1S/C13H16BrN3/c1-10-7-11(3-4-12(10)14)8-15-9-13-16-5-6-17(13)2/h3-7,15H,8-9H2,1-2H3
InChIKeyROVDVKOIJWWGNO-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.78
Rot. Bonds4

About 1-(4-bromo-3-methylphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine

1-(4-bromo-3-methylphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 66472439) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID66472439
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-(4-bromo-3-methylphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCc1cc(CNCc2nccn2C)ccc1Br
InChIInChI=1S/C13H16BrN3/c1-10-7-11(3-4-12(10)14)8-15-9-13-16-5-6-17(13)2/h3-7,15H,8-9H2,1-2H3
InChIKeyROVDVKOIJWWGNO-UHFFFAOYSA-N
XLogP2.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-nitrophenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 55168277
1-(4-bromo-3-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 66472217
2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol
CID 107740789
1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 107342350
N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79737937
1-(4-bromo-3-methylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79174504
1-(3-bromo-2,6-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 106263450
N-[(3-bromo-4-chlorophenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 83235355
4-bromo-2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43142883
1-cyclopenta-1,4-dien-1-yl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 91928163
N-[(4-bromo-3-nitrophenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61212034
1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011510

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 66472439) is 1-(4-bromo-3-methylphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is Cc1cc(CNCc2nccn2C)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is ROVDVKOIJWWGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-10-7-11(3-4-12(10)14)8-15-9-13-16-5-6-17(13)2/h3-7,15H,8-9H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
1-(4-bromo-3-methylphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 294.20 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 66472439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).