2-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine

C12H19NO — CID 83907610

IUPAC2-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine
SMILESCc1cc2c(o1)CCCC2C(C)CN
InChIInChI=1S/C12H19NO/c1-8(7-13)10-4-3-5-12-11(10)6-9(2)14-12/h6,8,10H,3-5,7,13H2,1-2H3
InChIKeyNQDKJRPQDDKIDD-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.60
Rot. Bonds2

About 2-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine

2-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine (PubChem CID 83907610) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine
PubChem CID83907610
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine
SMILESCc1cc2c(o1)CCCC2C(C)CN
InChIInChI=1S/C12H19NO/c1-8(7-13)10-4-3-5-12-11(10)6-9(2)14-12/h6,8,10H,3-5,7,13H2,1-2H3
InChIKeyNQDKJRPQDDKIDD-UHFFFAOYSA-N
XLogP2.60
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine?
The IUPAC name of 2-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine (CID 83907610) is 2-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine.
What is the SMILES notation for 2-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine?
The canonical SMILES for 2-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine is Cc1cc2c(o1)CCCC2C(C)CN.
What is the InChIKey of 2-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine?
The InChIKey is NQDKJRPQDDKIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8(7-13)10-4-3-5-12-11(10)6-9(2)14-12/h6,8,10H,3-5,7,13H2,1-2H3.
What are the key properties of 2-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine?
2-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine is sourced from PubChem (CID 83907610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).