N-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine

C15H21NO — CID 79229614

IUPACN-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine
SMILESc1ccc2c(c1)OCC2CCCCNC1CC1
InChIInChI=1S/C15H21NO/c1-2-7-15-14(6-1)12(11-17-15)5-3-4-10-16-13-8-9-13/h1-2,6-7,12-13,16H,3-5,8-11H2
InChIKeyWEUNCOWDJPROOE-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.08
Rot. Bonds6

About N-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine

N-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine (PubChem CID 79229614) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine
PubChem CID79229614
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine
SMILESc1ccc2c(c1)OCC2CCCCNC1CC1
InChIInChI=1S/C15H21NO/c1-2-7-15-14(6-1)12(11-17-15)5-3-4-10-16-13-8-9-13/h1-2,6-7,12-13,16H,3-5,8-11H2
InChIKeyWEUNCOWDJPROOE-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.08
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

4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
CID 79229528
N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine
CID 79229690
3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran
CID 14195926
N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 79230229
N-[2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine
CID 83138647
1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
CID 79230011
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-amine
CID 106844833
3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile
CID 79229340
5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine
CID 107320375
6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine
CID 114008270
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine
CID 79227145
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-3-amine
CID 79226755

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine?
The IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine (CID 79229614) is N-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine is c1ccc2c(c1)OCC2CCCCNC1CC1.
What is the InChIKey of N-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine?
The InChIKey is WEUNCOWDJPROOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-7-15-14(6-1)12(11-17-15)5-3-4-10-16-13-8-9-13/h1-2,6-7,12-13,16H,3-5,8-11H2.
What are the key properties of N-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine?
N-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine has a molecular weight of 231.34 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine is sourced from PubChem (CID 79229614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).