4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine

C14H21NO — CID 79229528

IUPAC4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
SMILESCCNCCCCC1COc2ccccc21
InChIInChI=1S/C14H21NO/c1-2-15-10-6-5-7-12-11-16-14-9-4-3-8-13(12)14/h3-4,8-9,12,15H,2,5-7,10-11H2,1H3
InChIKeyGIAAFTVENPRFGA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.94
Rot. Bonds6

About 4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine

4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine (PubChem CID 79229528) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
PubChem CID79229528
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
SMILESCCNCCCCC1COc2ccccc21
InChIInChI=1S/C14H21NO/c1-2-15-10-6-5-7-12-11-16-14-9-4-3-8-13(12)14/h3-4,8-9,12,15H,2,5-7,10-11H2,1H3
InChIKeyGIAAFTVENPRFGA-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine
CID 79229690
N-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine
CID 79229614
N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 79230229
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine
CID 79227145
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-amine
CID 106844833
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine
CID 79227067
1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
CID 79230011
6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine
CID 114008270
5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine
CID 107320375
3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran
CID 14195926
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 79226973

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine (CID 79229528) is 4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine is CCNCCCCC1COc2ccccc21.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine?
The InChIKey is GIAAFTVENPRFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-15-10-6-5-7-12-11-16-14-9-4-3-8-13(12)14/h3-4,8-9,12,15H,2,5-7,10-11H2,1H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine?
4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine is sourced from PubChem (CID 79229528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).