3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine

C12H17Br2NO2 — CID 62599508

IUPAC3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCOc1c(Br)cccc1Br
InChIInChI=1S/C12H17Br2NO2/c1-16-9-7-15-6-3-8-17-12-10(13)4-2-5-11(12)14/h2,4-5,15H,3,6-9H2,1H3
InChIKeyLDFZWAGMSARYDB-UHFFFAOYSA-N
MW367.08 g/mol
LogP3.22
Rot. Bonds8

About 3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine

3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 62599508) has the molecular formula C12H17Br2NO2 and a molecular weight of 367.08 g/mol. Its IUPAC name is 3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine
PubChem CID62599508
Molecular FormulaC12H17Br2NO2
Molecular Weight367.08 g/mol
Exact Mass364.96
IUPAC Name3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCOc1c(Br)cccc1Br
InChIInChI=1S/C12H17Br2NO2/c1-16-9-7-15-6-3-8-17-12-10(13)4-2-5-11(12)14/h2,4-5,15H,3,6-9H2,1H3
InChIKeyLDFZWAGMSARYDB-UHFFFAOYSA-N
XLogP3.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.08
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dimethoxyphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62571933
N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine
CID 62572083
N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 81269641
3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 62603094
3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine
CID 83140817
N-[[3-bromo-2-(4,4,4-trifluorobutoxy)phenyl]methyl]-2-methoxyethanamine
CID 115513226
3-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 2581979
N-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine
CID 62599154
N-[[3-bromo-2-(2-ethoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 55219306
N'-[(3-bromo-2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 114019833
N-[2-(2,6-dibromophenoxy)ethyl]-2-methylpropan-2-amine
CID 61385418
N-[[3-bromo-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63060490

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine (CID 62599508) is 3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine is COCCNCCCOc1c(Br)cccc1Br.
What is the InChIKey of 3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is LDFZWAGMSARYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO2/c1-16-9-7-15-6-3-8-17-12-10(13)4-2-5-11(12)14/h2,4-5,15H,3,6-9H2,1H3.
What are the key properties of 3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine?
3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 367.08 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 62599508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).