1-bromo-1-(3-bromophenyl)-N-methylmethanamine

C8H9Br2N — CID 116961987

IUPAC1-bromo-1-(3-bromophenyl)-N-methylmethanamine
SMILESCNC(Br)c1cccc(Br)c1
InChIInChI=1S/C8H9Br2N/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5,8,11H,1H3
InChIKeyWFYUCUUNYQPKCR-UHFFFAOYSA-N
MW278.98 g/mol
LogP3.06
Rot. Bonds2

About 1-bromo-1-(3-bromophenyl)-N-methylmethanamine

1-bromo-1-(3-bromophenyl)-N-methylmethanamine (PubChem CID 116961987) has the molecular formula C8H9Br2N and a molecular weight of 278.98 g/mol. Its IUPAC name is 1-bromo-1-(3-bromophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-bromo-1-(3-bromophenyl)-N-methylmethanamine
PubChem CID116961987
Molecular FormulaC8H9Br2N
Molecular Weight278.98 g/mol
Exact Mass276.91
IUPAC Name1-bromo-1-(3-bromophenyl)-N-methylmethanamine
SMILESCNC(Br)c1cccc(Br)c1
InChIInChI=1S/C8H9Br2N/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5,8,11H,1H3
InChIKeyWFYUCUUNYQPKCR-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.98
LogP ≤ 53.06
H-Bond Donors ≤ 51
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

1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine
CID 116948153
2-(3-bromophenyl)-2-(methylamino)acetonitrile
CID 43114986
1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43480640
1-(3-bromophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55115762
2-(3-bromophenyl)-N-methylpentan-3-amine
CID 79307668
1-(3-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299050
1-(3-bromophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43486480
1-(3-bromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 60819031
1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 62491207
1-[3-(3-bromophenyl)phenyl]-N-methylethanamine
CID 113324687
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
2-(3-bromophenyl)-N-methylhexan-3-amine
CID 83051942

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-(3-bromophenyl)-N-methylmethanamine?
The IUPAC name of 1-bromo-1-(3-bromophenyl)-N-methylmethanamine (CID 116961987) is 1-bromo-1-(3-bromophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-bromo-1-(3-bromophenyl)-N-methylmethanamine?
The canonical SMILES for 1-bromo-1-(3-bromophenyl)-N-methylmethanamine is CNC(Br)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-1-(3-bromophenyl)-N-methylmethanamine?
The InChIKey is WFYUCUUNYQPKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2N/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5,8,11H,1H3.
What are the key properties of 1-bromo-1-(3-bromophenyl)-N-methylmethanamine?
1-bromo-1-(3-bromophenyl)-N-methylmethanamine has a molecular weight of 278.98 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(3-bromophenyl)-N-methylmethanamine is sourced from PubChem (CID 116961987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).