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

C14H20ClNO2 — CID 114242583

IUPAC2-(2-chloroethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylethanamine
SMILESCN(CCOCCCl)CC1COc2ccccc21
InChIInChI=1S/C14H20ClNO2/c1-16(7-9-17-8-6-15)10-12-11-18-14-5-3-2-4-13(12)14/h2-5,12H,6-11H2,1H3
InChIKeyHWJKUZLOHASSCQ-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.35
Rot. Bonds7

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

2-(2-chloroethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylethanamine (PubChem CID 114242583) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloroethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylethanamine
PubChem CID114242583
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(2-chloroethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylethanamine
SMILESCN(CCOCCCl)CC1COc2ccccc21
InChIInChI=1S/C14H20ClNO2/c1-16(7-9-17-8-6-15)10-12-11-18-14-5-3-2-4-13(12)14/h2-5,12H,6-11H2,1H3
InChIKeyHWJKUZLOHASSCQ-UHFFFAOYSA-N
XLogP2.35
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.35
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

3-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]propanenitrile
CID 79226206
2-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylpropan-1-amine
CID 79229839
2-(2-chloroethoxy)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methylethanamine
CID 114242586
3-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide
CID 79229464
1-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]propan-2-ol
CID 79229669
1-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-N-methylpropane-1,2-diamine
CID 79230396
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 79229248
2-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol
CID 113476276
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 79226040
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
3-[2,3-dihydro-1-benzofuran-3-ylmethyl(2-methoxyethyl)amino]propanethioamide
CID 79229702

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylethanamine?
The IUPAC name of 2-(2-chloroethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylethanamine (CID 114242583) is 2-(2-chloroethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloroethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloroethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylethanamine is CN(CCOCCCl)CC1COc2ccccc21.
What is the InChIKey of 2-(2-chloroethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylethanamine?
The InChIKey is HWJKUZLOHASSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-16(7-9-17-8-6-15)10-12-11-18-14-5-3-2-4-13(12)14/h2-5,12H,6-11H2,1H3.
What are the key properties of 2-(2-chloroethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylethanamine?
2-(2-chloroethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylethanamine has a molecular weight of 269.77 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylethanamine is sourced from PubChem (CID 114242583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).