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

C14H18ClNO3 — CID 66362773

IUPACethyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]acetate
SMILESCCOC(=O)CN(C)CC1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C14H18ClNO3/c1-3-18-14(17)9-16(2)8-12-7-10-6-11(15)4-5-13(10)19-12/h4-6,12H,3,7-9H2,1-2H3
InChIKeyBEQSRSRYVTWYOF-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.14
Rot. Bonds5

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

ethyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]acetate (PubChem CID 66362773) has the molecular formula C14H18ClNO3 and a molecular weight of 283.76 g/mol. Its IUPAC name is ethyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]acetate
PubChem CID66362773
Molecular FormulaC14H18ClNO3
Molecular Weight283.76 g/mol
Exact Mass283.10
IUPAC Nameethyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]acetate
SMILESCCOC(=O)CN(C)CC1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C14H18ClNO3/c1-3-18-14(17)9-16(2)8-12-7-10-6-11(15)4-5-13(10)19-12/h4-6,12H,3,7-9H2,1-2H3
InChIKeyBEQSRSRYVTWYOF-UHFFFAOYSA-N
XLogP2.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetate
CID 66362775
ethyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]acetate
CID 66391222
2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-propan-2-ylamino]acetic acid
CID 66362741
2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropanoic acid
CID 66361404
2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]-2-methylpropan-1-ol
CID 113476301
[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 40566108
(2S)-2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methoxy]propanoic acid
CID 104876369
ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate
CID 63663084
1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79390229
ethyl 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 53408410
5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42920084
(2R)-2-amino-3-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]propanoic acid
CID 66362521

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]acetate?
The IUPAC name of ethyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]acetate (CID 66362773) is ethyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]acetate?
The canonical SMILES for ethyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]acetate is CCOC(=O)CN(C)CC1Cc2cc(Cl)ccc2O1.
What is the InChIKey of ethyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]acetate?
The InChIKey is BEQSRSRYVTWYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-3-18-14(17)9-16(2)8-12-7-10-6-11(15)4-5-13(10)19-12/h4-6,12H,3,7-9H2,1-2H3.
What are the key properties of ethyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]acetate?
ethyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]acetate has a molecular weight of 283.76 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]acetate is sourced from PubChem (CID 66362773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).