N-(bromomethyl)-2-(3-bromophenyl)ethanamine

C9H11Br2N — CID 115262293

IUPACN-(bromomethyl)-2-(3-bromophenyl)ethanamine
SMILESBrCNCCc1cccc(Br)c1
InChIInChI=1S/C9H11Br2N/c10-7-12-5-4-8-2-1-3-9(11)6-8/h1-3,6,12H,4-5,7H2
InChIKeyJUABEOIXMRILQB-UHFFFAOYSA-N
MW293.00 g/mol
LogP2.93
Rot. Bonds4

About N-(bromomethyl)-2-(3-bromophenyl)ethanamine

N-(bromomethyl)-2-(3-bromophenyl)ethanamine (PubChem CID 115262293) has the molecular formula C9H11Br2N and a molecular weight of 293.00 g/mol. Its IUPAC name is N-(bromomethyl)-2-(3-bromophenyl)ethanamine.

Molecular Properties

Compound NameN-(bromomethyl)-2-(3-bromophenyl)ethanamine
PubChem CID115262293
Molecular FormulaC9H11Br2N
Molecular Weight293.00 g/mol
Exact Mass290.93
IUPAC NameN-(bromomethyl)-2-(3-bromophenyl)ethanamine
SMILESBrCNCCc1cccc(Br)c1
InChIInChI=1S/C9H11Br2N/c10-7-12-5-4-8-2-1-3-9(11)6-8/h1-3,6,12H,4-5,7H2
InChIKeyJUABEOIXMRILQB-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.00
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-bromophenyl)ethyl]hydroxylamine
CID 105469369
N'-[2-(3-bromophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202154
N'-[2-(3-bromophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115203423
1-bromo-3-ethylbenzene;ethane
CID 143778556
2-(3-bromophenyl)-N-(piperazin-1-ylmethyl)ethanamine
CID 115230159
N-[2-(3-bromophenyl)ethyl]-4-fluoroaniline
CID 76852078
2-(3-bromophenyl)ethanol
CID 2734090
1-[[2-(3-bromophenyl)ethylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246618
4-[2-(3-bromophenyl)ethylamino]-3-methylbutanoic acid
CID 115220088
3-[[2-(3-bromophenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248168
2-N-[2-(3-bromophenyl)ethyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 113408514
1-bromo-3-ethylbenzene;methane
CID 158533972

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-2-(3-bromophenyl)ethanamine?
The IUPAC name of N-(bromomethyl)-2-(3-bromophenyl)ethanamine (CID 115262293) is N-(bromomethyl)-2-(3-bromophenyl)ethanamine.
What is the SMILES notation for N-(bromomethyl)-2-(3-bromophenyl)ethanamine?
The canonical SMILES for N-(bromomethyl)-2-(3-bromophenyl)ethanamine is BrCNCCc1cccc(Br)c1.
What is the InChIKey of N-(bromomethyl)-2-(3-bromophenyl)ethanamine?
The InChIKey is JUABEOIXMRILQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2N/c10-7-12-5-4-8-2-1-3-9(11)6-8/h1-3,6,12H,4-5,7H2.
What are the key properties of N-(bromomethyl)-2-(3-bromophenyl)ethanamine?
N-(bromomethyl)-2-(3-bromophenyl)ethanamine has a molecular weight of 293.00 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-2-(3-bromophenyl)ethanamine is sourced from PubChem (CID 115262293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).