4-[cyclopropyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]butan-1-ol

C17H25NO2 — CID 111488244

IUPAC4-[cyclopropyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]butan-1-ol
SMILESOCCCCN(CCc1ccc2c(c1)CCO2)C1CC1
InChIInChI=1S/C17H25NO2/c19-11-2-1-9-18(16-4-5-16)10-7-14-3-6-17-15(13-14)8-12-20-17/h3,6,13,16,19H,1-2,4-5,7-12H2
InChIKeyAXMYJRVPDMCEPR-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.40
Rot. Bonds8

About 4-[cyclopropyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]butan-1-ol

4-[cyclopropyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]butan-1-ol (PubChem CID 111488244) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-[cyclopropyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[cyclopropyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]butan-1-ol
PubChem CID111488244
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-[cyclopropyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]butan-1-ol
SMILESOCCCCN(CCc1ccc2c(c1)CCO2)C1CC1
InChIInChI=1S/C17H25NO2/c19-11-2-1-9-18(16-4-5-16)10-7-14-3-6-17-15(13-14)8-12-20-17/h3,6,13,16,19H,1-2,4-5,7-12H2
InChIKeyAXMYJRVPDMCEPR-UHFFFAOYSA-N
XLogP2.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.40
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

2-[cyclobutyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol
CID 102676649
2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol
CID 65445174
N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 65445563
2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]acetonitrile
CID 65446365
4-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79117319
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
CID 115216972
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2-methoxyethyl)amino]ethanol
CID 115665475
5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 106147353
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylmethanediamine
CID 115226278
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]propane-1-thiol
CID 115225274
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylcarbamoyl bromide
CID 115194145
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]butan-1-ol?
The IUPAC name of 4-[cyclopropyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]butan-1-ol (CID 111488244) is 4-[cyclopropyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]butan-1-ol.
What is the SMILES notation for 4-[cyclopropyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]butan-1-ol?
The canonical SMILES for 4-[cyclopropyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]butan-1-ol is OCCCCN(CCc1ccc2c(c1)CCO2)C1CC1.
What is the InChIKey of 4-[cyclopropyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]butan-1-ol?
The InChIKey is AXMYJRVPDMCEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c19-11-2-1-9-18(16-4-5-16)10-7-14-3-6-17-15(13-14)8-12-20-17/h3,6,13,16,19H,1-2,4-5,7-12H2.
What are the key properties of 4-[cyclopropyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]butan-1-ol?
4-[cyclopropyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]butan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]butan-1-ol is sourced from PubChem (CID 111488244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).