2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate

C13H18N2O3 — CID 83210158

IUPAC2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate
SMILESNC(=O)OCCNCCc1ccc2c(c1)CCO2
InChIInChI=1S/C13H18N2O3/c14-13(16)18-8-6-15-5-3-10-1-2-12-11(9-10)4-7-17-12/h1-2,9,15H,3-8H2,(H2,14,16)
InChIKeyNXWTWUKAGRMNDZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.85
Rot. Bonds6

About 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate

2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate (PubChem CID 83210158) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate
PubChem CID83210158
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate
SMILESNC(=O)OCCNCCc1ccc2c(c1)CCO2
InChIInChI=1S/C13H18N2O3/c14-13(16)18-8-6-15-5-3-10-1-2-12-11(9-10)4-7-17-12/h1-2,9,15H,3-8H2,(H2,14,16)
InChIKeyNXWTWUKAGRMNDZ-UHFFFAOYSA-N
XLogP0.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
CID 65444450
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine
CID 65431785
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-phenoxyethyl)ethanamine
CID 65446343
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-methylbutanoic acid
CID 115220891
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylbutane-1,3-diamine
CID 115200827
3-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclobutan-1-amine
CID 115214309
2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
CID 115168538
methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]acetate
CID 115233066
2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol
CID 96659085
2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-aminobenzoate
CID 65445543
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]butan-1-amine
CID 65446335
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate?
The IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate (CID 83210158) is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate.
What is the SMILES notation for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate?
The canonical SMILES for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate is NC(=O)OCCNCCc1ccc2c(c1)CCO2.
What is the InChIKey of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate?
The InChIKey is NXWTWUKAGRMNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-13(16)18-8-6-15-5-3-10-1-2-12-11(9-10)4-7-17-12/h1-2,9,15H,3-8H2,(H2,14,16).
What are the key properties of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate?
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate has a molecular weight of 250.30 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate is sourced from PubChem (CID 83210158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).