N-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C14H23NO2 — CID 113315171

IUPACN-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCCCCOCCNC1CCCc2occc21
InChIInChI=1S/C14H23NO2/c1-2-3-9-16-11-8-15-13-5-4-6-14-12(13)7-10-17-14/h7,10,13,15H,2-6,8-9,11H2,1H3
InChIKeyXLLOUAMSLJEUSW-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.06
Rot. Bonds7

About N-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 113315171) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID113315171
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCCCCOCCNC1CCCc2occc21
InChIInChI=1S/C14H23NO2/c1-2-3-9-16-11-8-15-13-5-4-6-14-12(13)7-10-17-14/h7,10,13,15H,2-6,8-9,11H2,1H3
InChIKeyXLLOUAMSLJEUSW-UHFFFAOYSA-N
XLogP3.06
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-N-[2-(2-methylsulfonylethoxy)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 124625423
N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466439
N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208271
N-(5-methylsulfanylpentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 107094031
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide
CID 115466341
N-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]methanesulfonamide
CID 113315133
N-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide
CID 115466077
(4R)-N-(2-pyridin-3-yloxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 99778869
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanoic acid
CID 115466058
N-(2-methoxy-2-methylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104759614
N-(2,3-dimethoxypropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 107093981
N-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465990

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 113315171) is N-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CCCCOCCNC1CCCc2occc21.
What is the InChIKey of N-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is XLLOUAMSLJEUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-3-9-16-11-8-15-13-5-4-6-14-12(13)7-10-17-14/h7,10,13,15H,2-6,8-9,11H2,1H3.
What are the key properties of N-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 237.34 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 113315171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).