(2R)-1-(1-benzofuran-2-yl)-N-propylpentan-2-amine;hydrochloride

C16H24ClNO — CID 11984587

IUPAC(2R)-1-(1-benzofuran-2-yl)-N-propylpentan-2-amine;hydrochloride
SMILESCCCN[C@H](CCC)Cc1cc2ccccc2o1.Cl
InChIInChI=1S/C16H23NO.ClH/c1-3-7-14(17-10-4-2)12-15-11-13-8-5-6-9-16(13)18-15;/h5-6,8-9,11,14,17H,3-4,7,10,12H2,1-2H3;1H/t14-;/m1./s1
InChIKeyGKKNDWKXWAVGOK-PFEQFJNWSA-N
MW281.83 g/mol
LogP4.57
Rot. Bonds7

About (2R)-1-(1-benzofuran-2-yl)-N-propylpentan-2-amine;hydrochloride

(2R)-1-(1-benzofuran-2-yl)-N-propylpentan-2-amine;hydrochloride (PubChem CID 11984587) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is (2R)-1-(1-benzofuran-2-yl)-N-propylpentan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-(1-benzofuran-2-yl)-N-propylpentan-2-amine;hydrochloride
PubChem CID11984587
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name(2R)-1-(1-benzofuran-2-yl)-N-propylpentan-2-amine;hydrochloride
SMILESCCCN[C@H](CCC)Cc1cc2ccccc2o1.Cl
InChIInChI=1S/C16H23NO.ClH/c1-3-7-14(17-10-4-2)12-15-11-13-8-5-6-9-16(13)18-15;/h5-6,8-9,11,14,17H,3-4,7,10,12H2,1-2H3;1H/t14-;/m1./s1
InChIKeyGKKNDWKXWAVGOK-PFEQFJNWSA-N
XLogP4.57
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-benzofuran-2-yl)-N-propylpentan-2-amine;hydrochloride?
The IUPAC name of (2R)-1-(1-benzofuran-2-yl)-N-propylpentan-2-amine;hydrochloride (CID 11984587) is (2R)-1-(1-benzofuran-2-yl)-N-propylpentan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-1-(1-benzofuran-2-yl)-N-propylpentan-2-amine;hydrochloride?
The canonical SMILES for (2R)-1-(1-benzofuran-2-yl)-N-propylpentan-2-amine;hydrochloride is CCCN[C@H](CCC)Cc1cc2ccccc2o1.Cl.
What is the InChIKey of (2R)-1-(1-benzofuran-2-yl)-N-propylpentan-2-amine;hydrochloride?
The InChIKey is GKKNDWKXWAVGOK-PFEQFJNWSA-N. The full InChI is InChI=1S/C16H23NO.ClH/c1-3-7-14(17-10-4-2)12-15-11-13-8-5-6-9-16(13)18-15;/h5-6,8-9,11,14,17H,3-4,7,10,12H2,1-2H3;1H/t14-;/m1./s1.
What are the key properties of (2R)-1-(1-benzofuran-2-yl)-N-propylpentan-2-amine;hydrochloride?
(2R)-1-(1-benzofuran-2-yl)-N-propylpentan-2-amine;hydrochloride has a molecular weight of 281.83 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-benzofuran-2-yl)-N-propylpentan-2-amine;hydrochloride is sourced from PubChem (CID 11984587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).