1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine

C16H21N3O — CID 61212599

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
SMILESCC(NCCc1nccn1C)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H21N3O/c1-12(17-7-5-16-18-8-9-19(16)2)13-3-4-15-14(11-13)6-10-20-15/h3-4,8-9,11-12,17H,5-7,10H2,1-2H3
InChIKeyOXADXAWOOACDJQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.25
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine (PubChem CID 61212599) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
PubChem CID61212599
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
SMILESCC(NCCc1nccn1C)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H21N3O/c1-12(17-7-5-16-18-8-9-19(16)2)13-3-4-15-14(11-13)6-10-20-15/h3-4,8-9,11-12,17H,5-7,10H2,1-2H3
InChIKeyOXADXAWOOACDJQ-UHFFFAOYSA-N
XLogP2.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61460058
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43776500
4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol
CID 61214125
2-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethoxy]ethanol
CID 43771488
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238411
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43771401
1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61214144
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethylbutan-1-amine
CID 115718022
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]acetamide
CID 43754741
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913494
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 81345295
(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81406233

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine (CID 61212599) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine is CC(NCCc1nccn1C)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine?
The InChIKey is OXADXAWOOACDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(17-7-5-16-18-8-9-19(16)2)13-3-4-15-14(11-13)6-10-20-15/h3-4,8-9,11-12,17H,5-7,10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 61212599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).