(2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride

C13H18ClNO — CID 139947537

IUPAC(2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride
SMILESCCC[C@H](N)Cc1cc2ccccc2o1.Cl
InChIInChI=1S/C13H17NO.ClH/c1-2-5-11(14)9-12-8-10-6-3-4-7-13(10)15-12;/h3-4,6-8,11H,2,5,9,14H2,1H3;1H/t11-;/m0./s1
InChIKeyKKCQBRAMNWWVIK-MERQFXBCSA-N
MW239.75 g/mol
LogP3.52
Rot. Bonds4

About (2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride

(2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride (PubChem CID 139947537) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is (2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride
PubChem CID139947537
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name(2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride
SMILESCCC[C@H](N)Cc1cc2ccccc2o1.Cl
InChIInChI=1S/C13H17NO.ClH/c1-2-5-11(14)9-12-8-10-6-3-4-7-13(10)15-12;/h3-4,6-8,11H,2,5,9,14H2,1H3;1H/t11-;/m0./s1
InChIKeyKKCQBRAMNWWVIK-MERQFXBCSA-N
XLogP3.52
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)pentan-2-amine
CID 139946655
3-(1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114733511
1-(1-benzofuran-2-yl)-N-prop-2-ynylpentan-2-amine;hydrochloride
CID 139947531
3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 114733525
1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine
CID 114733291
CID 156725408
CID 156725408
2-decyl-1-benzofuran
CID 15365265
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 30734803
1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine
CID 150642299
1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine
CID 115317243
1-benzofuran-2-ylmethyl 2-ethylbutanoate
CID 86918284

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride?
The IUPAC name of (2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride (CID 139947537) is (2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride?
The canonical SMILES for (2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride is CCC[C@H](N)Cc1cc2ccccc2o1.Cl.
What is the InChIKey of (2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride?
The InChIKey is KKCQBRAMNWWVIK-MERQFXBCSA-N. The full InChI is InChI=1S/C13H17NO.ClH/c1-2-5-11(14)9-12-8-10-6-3-4-7-13(10)15-12;/h3-4,6-8,11H,2,5,9,14H2,1H3;1H/t11-;/m0./s1.
What are the key properties of (2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride?
(2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride has a molecular weight of 239.75 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride is sourced from PubChem (CID 139947537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).