2-(2-chloroethoxy)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylethanamine

C14H19ClFNO2 — CID 114242591

IUPAC2-(2-chloroethoxy)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylethanamine
SMILESCN(CCOCCCl)CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C14H19ClFNO2/c1-17(5-7-18-6-4-15)10-13-9-11-8-12(16)2-3-14(11)19-13/h2-3,8,13H,4-7,9-10H2,1H3
InChIKeyRCIGMEABLDYSPK-UHFFFAOYSA-N
MW287.76 g/mol
LogP2.32
Rot. Bonds7

About 2-(2-chloroethoxy)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylethanamine

2-(2-chloroethoxy)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylethanamine (PubChem CID 114242591) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloroethoxy)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylethanamine
PubChem CID114242591
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Name2-(2-chloroethoxy)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylethanamine
SMILESCN(CCOCCCl)CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C14H19ClFNO2/c1-17(5-7-18-6-4-15)10-13-9-11-8-12(16)2-3-14(11)19-13/h2-3,8,13H,4-7,9-10H2,1H3
InChIKeyRCIGMEABLDYSPK-UHFFFAOYSA-N
XLogP2.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 52.32
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-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]propanoic acid
CID 66365503
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]propanethioamide
CID 66364311
2-(2-bromoethoxy)-N-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 114242624
2-bromo-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 80691015
3-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 66365258
2-(2-bromoethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methylethanamine
CID 114242597
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915990
4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121920
N'-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine
CID 66365452
4-(2-chloroethoxy)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine
CID 82684841
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
2-[2-(chloromethyl)-3-methylbutyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 66362279

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylethanamine?
The IUPAC name of 2-(2-chloroethoxy)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylethanamine (CID 114242591) is 2-(2-chloroethoxy)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-(2-chloroethoxy)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylethanamine?
The canonical SMILES for 2-(2-chloroethoxy)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylethanamine is CN(CCOCCCl)CC1Cc2cc(F)ccc2O1.
What is the InChIKey of 2-(2-chloroethoxy)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylethanamine?
The InChIKey is RCIGMEABLDYSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2/c1-17(5-7-18-6-4-15)10-13-9-11-8-12(16)2-3-14(11)19-13/h2-3,8,13H,4-7,9-10H2,1H3.
What are the key properties of 2-(2-chloroethoxy)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylethanamine?
2-(2-chloroethoxy)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylethanamine has a molecular weight of 287.76 g/mol, XLogP of 2.32, 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-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 114242591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).