3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine

C12H18BrNO2 — CID 83140817

IUPAC3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine
SMILESCCNCCCOc1c(Br)cccc1OC
InChIInChI=1S/C12H18BrNO2/c1-3-14-8-5-9-16-12-10(13)6-4-7-11(12)15-2/h4,6-7,14H,3,5,8-9H2,1-2H3
InChIKeyGSPIUYFVVBUBGP-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.84
Rot. Bonds7

About 3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine

3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine (PubChem CID 83140817) has the molecular formula C12H18BrNO2 and a molecular weight of 288.18 g/mol. Its IUPAC name is 3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine
PubChem CID83140817
Molecular FormulaC12H18BrNO2
Molecular Weight288.18 g/mol
Exact Mass287.05
IUPAC Name3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine
SMILESCCNCCCOc1c(Br)cccc1OC
InChIInChI=1S/C12H18BrNO2/c1-3-14-8-5-9-16-12-10(13)6-4-7-11(12)15-2/h4,6-7,14H,3,5,8-9H2,1-2H3
InChIKeyGSPIUYFVVBUBGP-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.84
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

N-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine
CID 83140186
5-(2-bromo-6-methoxyphenoxy)pentane-1-thiol
CID 83134542
3-(2,6-dimethoxyphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62571933
3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62599508
N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine
CID 62572083
6-(2-bromo-6-methoxyphenoxy)hexan-3-one
CID 106802157
N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-fluoroaniline
CID 83141185
N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 83140848
1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene
CID 83140157
1-bromo-2-but-3-ynoxy-3-methoxybenzene
CID 82686319
5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine
CID 62449814
6-(2-bromo-6-methoxyphenoxy)hexan-2-one
CID 83140482

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine?
The IUPAC name of 3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine (CID 83140817) is 3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine is CCNCCCOc1c(Br)cccc1OC.
What is the InChIKey of 3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine?
The InChIKey is GSPIUYFVVBUBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-3-14-8-5-9-16-12-10(13)6-4-7-11(12)15-2/h4,6-7,14H,3,5,8-9H2,1-2H3.
What are the key properties of 3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine?
3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine has a molecular weight of 288.18 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine is sourced from PubChem (CID 83140817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).