2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine

C11H14Br2ClN — CID 46934127

IUPAC2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine
SMILESClc1cccc(CN(CCBr)CCBr)c1
InChIInChI=1S/C11H14Br2ClN/c12-4-6-15(7-5-13)9-10-2-1-3-11(14)8-10/h1-3,8H,4-7,9H2
InChIKeyFUMNIIFCOJJOBF-UHFFFAOYSA-N
MW355.50 g/mol
LogP3.93
Rot. Bonds6

About 2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine

2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine (PubChem CID 46934127) has the molecular formula C11H14Br2ClN and a molecular weight of 355.50 g/mol. Its IUPAC name is 2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine
PubChem CID46934127
Molecular FormulaC11H14Br2ClN
Molecular Weight355.50 g/mol
Exact Mass352.92
IUPAC Name2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine
SMILESClc1cccc(CN(CCBr)CCBr)c1
InChIInChI=1S/C11H14Br2ClN/c12-4-6-15(7-5-13)9-10-2-1-3-11(14)8-10/h1-3,8H,4-7,9H2
InChIKeyFUMNIIFCOJJOBF-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
3-bromo-N-[(3-chlorophenyl)methyl]-N-propan-2-ylpropan-1-amine
CID 80680513
2-[(3-chlorophenyl)methyl-ethylamino]ethanol
CID 60685456
N'-[(3-bromophenyl)methyl]-N'-[(3-chlorophenyl)methyl]propane-1,3-diamine
CID 23962023
N-[(3-chlorophenyl)methyl]-N-ethyl-2-methylsulfanylethanamine
CID 112829058
N-[(3-chlorophenyl)methyl]-2-(1,2,4-triazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
CID 46934268
N-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide
CID 80656058
N-benzyl-2-bromo-N-[(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 114859350
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
CID 784062
3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline
CID 43459137
N-[(3-chlorophenyl)methyl]-N-ethylprop-2-en-1-amine
CID 142098945
methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952814

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine?
The IUPAC name of 2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine (CID 46934127) is 2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine?
The canonical SMILES for 2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine is Clc1cccc(CN(CCBr)CCBr)c1.
What is the InChIKey of 2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine?
The InChIKey is FUMNIIFCOJJOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2ClN/c12-4-6-15(7-5-13)9-10-2-1-3-11(14)8-10/h1-3,8H,4-7,9H2.
What are the key properties of 2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine?
2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine has a molecular weight of 355.50 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine is sourced from PubChem (CID 46934127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).