N-(bromomethyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine

C10H13Br2N — CID 115262115

IUPACN-(bromomethyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine
SMILESCc1ccc(Br)cc1CN(C)CBr
InChIInChI=1S/C10H13Br2N/c1-8-3-4-10(12)5-9(8)6-13(2)7-11/h3-5H,6-7H2,1-2H3
InChIKeyWZVXQLQBRJGRLK-UHFFFAOYSA-N
MW307.03 g/mol
LogP3.54
Rot. Bonds3

About N-(bromomethyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine

N-(bromomethyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine (PubChem CID 115262115) has the molecular formula C10H13Br2N and a molecular weight of 307.03 g/mol. Its IUPAC name is N-(bromomethyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-(bromomethyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine
PubChem CID115262115
Molecular FormulaC10H13Br2N
Molecular Weight307.03 g/mol
Exact Mass304.94
IUPAC NameN-(bromomethyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine
SMILESCc1ccc(Br)cc1CN(C)CBr
InChIInChI=1S/C10H13Br2N/c1-8-3-4-10(12)5-9(8)6-13(2)7-11/h3-5H,6-7H2,1-2H3
InChIKeyWZVXQLQBRJGRLK-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.03
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-[[(5-bromo-2-methylphenyl)methyl-methylamino]methyl]cyclobutan-1-amine
CID 115214218
N'-[(5-bromo-2-methylphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252546
2-[[(5-bromo-2-methylphenyl)methyl-methylamino]methyl]-3-methylbutanoic acid
CID 115250377
N-(bromomethyl)-N-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanamine
CID 115262135
(5-bromo-2-methylphenyl)methanamine;hydrochloride
CID 75481848
2-[(5-bromo-2-methylphenyl)methyl-methylamino]propanenitrile
CID 115130320
1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea
CID 115169289
2-N-[(5-bromo-2-methylphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine
CID 115138236
2-[(4-bromo-2-methylphenyl)methyl-methylamino]acetonitrile
CID 84593114
N-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine
CID 82648119
N-(bromomethyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 115262334
(5-bromo-2-methylphenyl)methyl-trichlorosilane
CID 69461549

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of N-(bromomethyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine (CID 115262115) is N-(bromomethyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for N-(bromomethyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for N-(bromomethyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine is Cc1ccc(Br)cc1CN(C)CBr.
What is the InChIKey of N-(bromomethyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine?
The InChIKey is WZVXQLQBRJGRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N/c1-8-3-4-10(12)5-9(8)6-13(2)7-11/h3-5H,6-7H2,1-2H3.
What are the key properties of N-(bromomethyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine?
N-(bromomethyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine has a molecular weight of 307.03 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115262115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).