1-(1-benzofuran-2-yl)-N-prop-2-ynylpentan-2-amine;hydrochloride

C16H20ClNO — CID 139947531

IUPAC1-(1-benzofuran-2-yl)-N-prop-2-ynylpentan-2-amine;hydrochloride
SMILESC#CCNC(CCC)Cc1cc2ccccc2o1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-3-7-14(17-10-4-2)12-15-11-13-8-5-6-9-16(13)18-15;/h2,5-6,8-9,11,14,17H,3,7,10,12H2,1H3;1H
InChIKeyBOCHXQABXQDFNV-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.79
Rot. Bonds6

About 1-(1-benzofuran-2-yl)-N-prop-2-ynylpentan-2-amine;hydrochloride

1-(1-benzofuran-2-yl)-N-prop-2-ynylpentan-2-amine;hydrochloride (PubChem CID 139947531) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-prop-2-ynylpentan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-prop-2-ynylpentan-2-amine;hydrochloride
PubChem CID139947531
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name1-(1-benzofuran-2-yl)-N-prop-2-ynylpentan-2-amine;hydrochloride
SMILESC#CCNC(CCC)Cc1cc2ccccc2o1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-3-7-14(17-10-4-2)12-15-11-13-8-5-6-9-16(13)18-15;/h2,5-6,8-9,11,14,17H,3,7,10,12H2,1H3;1H
InChIKeyBOCHXQABXQDFNV-UHFFFAOYSA-N
XLogP3.79
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride
CID 139947537
1-(1-benzofuran-2-yl)pentan-2-amine
CID 139946655
3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 114733525
3-(1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114733511
N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine
CID 115725359
1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine
CID 150642299
CID 156725408
CID 156725408
N-[1-(1-benzofuran-2-yl)propan-2-yl]cyclopropanecarboxamide
CID 119104139
2-decyl-1-benzofuran
CID 15365265
N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
CID 103271023
N-ethyl-1-benzofuran-2-amine;hydrochloride
CID 23165634
(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 28609841

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-prop-2-ynylpentan-2-amine;hydrochloride?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-prop-2-ynylpentan-2-amine;hydrochloride (CID 139947531) is 1-(1-benzofuran-2-yl)-N-prop-2-ynylpentan-2-amine;hydrochloride.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-prop-2-ynylpentan-2-amine;hydrochloride?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-prop-2-ynylpentan-2-amine;hydrochloride is C#CCNC(CCC)Cc1cc2ccccc2o1.Cl.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-prop-2-ynylpentan-2-amine;hydrochloride?
The InChIKey is BOCHXQABXQDFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c1-3-7-14(17-10-4-2)12-15-11-13-8-5-6-9-16(13)18-15;/h2,5-6,8-9,11,14,17H,3,7,10,12H2,1H3;1H.
What are the key properties of 1-(1-benzofuran-2-yl)-N-prop-2-ynylpentan-2-amine;hydrochloride?
1-(1-benzofuran-2-yl)-N-prop-2-ynylpentan-2-amine;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-prop-2-ynylpentan-2-amine;hydrochloride is sourced from PubChem (CID 139947531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).