ethyl 2-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetate

C15H21NO3 — CID 66362775

IUPACethyl 2-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetate
SMILESCCOC(=O)CN(C)CC1Cc2cc(C)ccc2O1
InChIInChI=1S/C15H21NO3/c1-4-18-15(17)10-16(3)9-13-8-12-7-11(2)5-6-14(12)19-13/h5-7,13H,4,8-10H2,1-3H3
InChIKeyDGRSRQLHPKOETN-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.79
Rot. Bonds5

About ethyl 2-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetate

ethyl 2-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetate (PubChem CID 66362775) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetate
PubChem CID66362775
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 2-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetate
SMILESCCOC(=O)CN(C)CC1Cc2cc(C)ccc2O1
InChIInChI=1S/C15H21NO3/c1-4-18-15(17)10-16(3)9-13-8-12-7-11(2)5-6-14(12)19-13/h5-7,13H,4,8-10H2,1-3H3
InChIKeyDGRSRQLHPKOETN-UHFFFAOYSA-N
XLogP1.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]acetate
CID 66362773
2-[cyclopropyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid
CID 66360819
3-N-methyl-3-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butane-1,3-diamine
CID 66361714
2-[2-methoxyethyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid
CID 66362363
ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate
CID 63663084
3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360253
2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine
CID 66361139
2-(2-bromoethoxy)-N-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 114242624
ethyl 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrole-2-carboxylate
CID 105422100
2-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360254
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetate (CID 66362775) is ethyl 2-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetate is CCOC(=O)CN(C)CC1Cc2cc(C)ccc2O1.
What is the InChIKey of ethyl 2-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetate?
The InChIKey is DGRSRQLHPKOETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-18-15(17)10-16(3)9-13-8-12-7-11(2)5-6-14(12)19-13/h5-7,13H,4,8-10H2,1-3H3.
What are the key properties of ethyl 2-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetate?
ethyl 2-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetate has a molecular weight of 263.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetate is sourced from PubChem (CID 66362775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).