1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride

C13H20ClNO — CID 86262922

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
SMILESCCCCC(N)c1ccc2c(c1)CCO2.Cl
InChIInChI=1S/C13H19NO.ClH/c1-2-3-4-12(14)10-5-6-13-11(9-10)7-8-15-13;/h5-6,9,12H,2-4,7-8,14H2,1H3;1H
InChIKeySVMDIXAMPSNMDP-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.23
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride

1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride (PubChem CID 86262922) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
PubChem CID86262922
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
SMILESCCCCC(N)c1ccc2c(c1)CCO2.Cl
InChIInChI=1S/C13H19NO.ClH/c1-2-3-4-12(14)10-5-6-13-11(9-10)7-8-15-13;/h5-6,9,12H,2-4,7-8,14H2,1H3;1H
InChIKeySVMDIXAMPSNMDP-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-chloropentyl)-2,3-dihydro-1-benzofuran
CID 61086357
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-fluoropropan-1-amine
CID 131499914
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
CID 86262999
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide
CID 54927378
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine
CID 82984024
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine
CID 794253
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpentan-1-amine
CID 43210155
4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanenitrile
CID 116940064
(4R)-4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 28744449

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride (CID 86262922) is 1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride is CCCCC(N)c1ccc2c(c1)CCO2.Cl.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride?
The InChIKey is SVMDIXAMPSNMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-2-3-4-12(14)10-5-6-13-11(9-10)7-8-15-13;/h5-6,9,12H,2-4,7-8,14H2,1H3;1H.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride?
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 86262922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).