2-(2-bromoethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methylethanamine

C14H20BrNO2 — CID 114242597

IUPAC2-(2-bromoethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methylethanamine
SMILESCN(CCOCCBr)CC1Cc2ccccc2O1
InChIInChI=1S/C14H20BrNO2/c1-16(7-9-17-8-6-15)11-13-10-12-4-2-3-5-14(12)18-13/h2-5,13H,6-11H2,1H3
InChIKeyCVIVTSQSFMUEQP-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.33
Rot. Bonds7

About 2-(2-bromoethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methylethanamine

2-(2-bromoethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methylethanamine (PubChem CID 114242597) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(2-bromoethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromoethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methylethanamine
PubChem CID114242597
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-(2-bromoethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methylethanamine
SMILESCN(CCOCCBr)CC1Cc2ccccc2O1
InChIInChI=1S/C14H20BrNO2/c1-16(7-9-17-8-6-15)11-13-10-12-4-2-3-5-14(12)18-13/h2-5,13H,6-11H2,1H3
InChIKeyCVIVTSQSFMUEQP-UHFFFAOYSA-N
XLogP2.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.33
H-Bond Donors ≤ 50
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

2-(2-bromoethoxy)-N-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 114242624
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]propanenitrile
CID 7335000
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile
CID 3112650
methyl 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanoate
CID 66364601
2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methoxy-N-methylpropan-1-amine
CID 66364230
2-(2-chloroethoxy)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylethanamine
CID 114242591
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 66346636
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(furan-2-yl)-N-methylpropan-1-amine
CID 124847386
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79651888
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(2-methoxyethyl)amino]propanethioamide
CID 66363383
2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile
CID 66363965

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromoethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methylethanamine (CID 114242597) is 2-(2-bromoethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromoethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromoethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methylethanamine is CN(CCOCCBr)CC1Cc2ccccc2O1.
What is the InChIKey of 2-(2-bromoethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methylethanamine?
The InChIKey is CVIVTSQSFMUEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-16(7-9-17-8-6-15)11-13-10-12-4-2-3-5-14(12)18-13/h2-5,13H,6-11H2,1H3.
What are the key properties of 2-(2-bromoethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methylethanamine?
2-(2-bromoethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methylethanamine has a molecular weight of 314.22 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methylethanamine is sourced from PubChem (CID 114242597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).