1-(5-propan-2-yl-1-benzofuran-7-yl)propan-2-amine;hydrochloride

C14H20ClNO — CID 22144863

IUPAC1-(5-propan-2-yl-1-benzofuran-7-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1cc(C(C)C)cc2ccoc12.Cl
InChIInChI=1S/C14H19NO.ClH/c1-9(2)12-7-11-4-5-16-14(11)13(8-12)6-10(3)15;/h4-5,7-10H,6,15H2,1-3H3;1H
InChIKeyAHHHFSBVTMROHM-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.87
Rot. Bonds3

About 1-(5-propan-2-yl-1-benzofuran-7-yl)propan-2-amine;hydrochloride

1-(5-propan-2-yl-1-benzofuran-7-yl)propan-2-amine;hydrochloride (PubChem CID 22144863) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(5-propan-2-yl-1-benzofuran-7-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-propan-2-yl-1-benzofuran-7-yl)propan-2-amine;hydrochloride
PubChem CID22144863
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(5-propan-2-yl-1-benzofuran-7-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1cc(C(C)C)cc2ccoc12.Cl
InChIInChI=1S/C14H19NO.ClH/c1-9(2)12-7-11-4-5-16-14(11)13(8-12)6-10(3)15;/h4-5,7-10H,6,15H2,1-3H3;1H
InChIKeyAHHHFSBVTMROHM-UHFFFAOYSA-N
XLogP3.87
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-yl-1-benzofuran-7-yl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(5-propan-2-yl-1-benzofuran-7-yl)propan-2-amine;hydrochloride (CID 22144863) is 1-(5-propan-2-yl-1-benzofuran-7-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(5-propan-2-yl-1-benzofuran-7-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(5-propan-2-yl-1-benzofuran-7-yl)propan-2-amine;hydrochloride is CC(N)Cc1cc(C(C)C)cc2ccoc12.Cl.
What is the InChIKey of 1-(5-propan-2-yl-1-benzofuran-7-yl)propan-2-amine;hydrochloride?
The InChIKey is AHHHFSBVTMROHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.ClH/c1-9(2)12-7-11-4-5-16-14(11)13(8-12)6-10(3)15;/h4-5,7-10H,6,15H2,1-3H3;1H.
What are the key properties of 1-(5-propan-2-yl-1-benzofuran-7-yl)propan-2-amine;hydrochloride?
1-(5-propan-2-yl-1-benzofuran-7-yl)propan-2-amine;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-yl-1-benzofuran-7-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 22144863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).