N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine

C8H18BrNO2 — CID 103184074

IUPACN-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine
SMILESCOCCCOCCNCCBr
InChIInChI=1S/C8H18BrNO2/c1-11-6-2-7-12-8-5-10-4-3-9/h10H,2-8H2,1H3
InChIKeyZDMKVJIAAHJZRJ-UHFFFAOYSA-N
MW240.14 g/mol
LogP1.02
Rot. Bonds9

About N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine

N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine (PubChem CID 103184074) has the molecular formula C8H18BrNO2 and a molecular weight of 240.14 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine
PubChem CID103184074
Molecular FormulaC8H18BrNO2
Molecular Weight240.14 g/mol
Exact Mass239.05
IUPAC NameN-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine
SMILESCOCCCOCCNCCBr
InChIInChI=1S/C8H18BrNO2/c1-11-6-2-7-12-8-5-10-4-3-9/h10H,2-8H2,1H3
InChIKeyZDMKVJIAAHJZRJ-UHFFFAOYSA-N
XLogP1.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 106306027
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
2-[2-(4-methoxybutoxy)ethylamino]ethanol
CID 150215705
6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine
CID 107844873
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 107844046
N-(2-hexoxyethyl)-3-methoxypropan-1-amine
CID 62599714
N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine
CID 62566842
N-[2-(3-methoxypropoxy)ethyl]but-2-yn-1-amine
CID 103179449
N-[2-(2-ethoxyethoxy)ethyl]-3-methoxypropan-1-amine
CID 62565586
3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 63685704

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine?
The IUPAC name of N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine (CID 103184074) is N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine.
What is the SMILES notation for N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine?
The canonical SMILES for N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine is COCCCOCCNCCBr.
What is the InChIKey of N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine?
The InChIKey is ZDMKVJIAAHJZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO2/c1-11-6-2-7-12-8-5-10-4-3-9/h10H,2-8H2,1H3.
What are the key properties of N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine?
N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine has a molecular weight of 240.14 g/mol, XLogP of 1.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine is sourced from PubChem (CID 103184074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).