N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine

C10H15BrN2 — CID 115227263

IUPACN'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine
SMILESCNCNCCc1ccccc1Br
InChIInChI=1S/C10H15BrN2/c1-12-8-13-7-6-9-4-2-3-5-10(9)11/h2-5,12-13H,6-8H2,1H3
InChIKeyUHTGEYVIFKZYJU-UHFFFAOYSA-N
MW243.15 g/mol
LogP1.76
Rot. Bonds5

About N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine

N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine (PubChem CID 115227263) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine.

Molecular Properties

Compound NameN'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine
PubChem CID115227263
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC NameN'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine
SMILESCNCNCCc1ccccc1Br
InChIInChI=1S/C10H15BrN2/c1-12-8-13-7-6-9-4-2-3-5-10(9)11/h2-5,12-13H,6-8H2,1H3
InChIKeyUHTGEYVIFKZYJU-UHFFFAOYSA-N
XLogP1.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenyl)-N-methylethanamine
CID 11964124
2-(2-bromophenyl)-N-(chloromethyl)ethanamine
CID 115263436
N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine
CID 115227243
N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206611
N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910561
3-[2-(2-bromophenyl)ethylamino]propane-1,2-diol
CID 115122367
N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide
CID 48945854
N-[2-(2-bromophenyl)ethyl]nitrous amide
CID 169495086
N-[2-(2-bromophenyl)ethyl]-2-(methylaminomethyl)butanamide
CID 115188974
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2-bromophenyl)ethanamine
CID 115244360
2-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 115210021
3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 62603094

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine?
The IUPAC name of N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine (CID 115227263) is N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine.
What is the SMILES notation for N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine?
The canonical SMILES for N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine is CNCNCCc1ccccc1Br.
What is the InChIKey of N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine?
The InChIKey is UHTGEYVIFKZYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-12-8-13-7-6-9-4-2-3-5-10(9)11/h2-5,12-13H,6-8H2,1H3.
What are the key properties of N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine?
N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine has a molecular weight of 243.15 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine is sourced from PubChem (CID 115227263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).