N-methyl-5-propyl-2,3-dihydro-1-benzofuran-3-amine

C12H17NO — CID 62549578

IUPACN-methyl-5-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCc1ccc2c(c1)C(NC)CO2
InChIInChI=1S/C12H17NO/c1-3-4-9-5-6-12-10(7-9)11(13-2)8-14-12/h5-7,11,13H,3-4,8H2,1-2H3
InChIKeyGNTFKYDJHIDKJO-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.29
Rot. Bonds3

About N-methyl-5-propyl-2,3-dihydro-1-benzofuran-3-amine

N-methyl-5-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 62549578) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-methyl-5-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-methyl-5-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID62549578
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-methyl-5-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCc1ccc2c(c1)C(NC)CO2
InChIInChI=1S/C12H17NO/c1-3-4-9-5-6-12-10(7-9)11(13-2)8-14-12/h5-7,11,13H,3-4,8H2,1-2H3
InChIKeyGNTFKYDJHIDKJO-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-methyl-5-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 62549578) is N-methyl-5-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-methyl-5-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-methyl-5-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCc1ccc2c(c1)C(NC)CO2.
What is the InChIKey of N-methyl-5-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is GNTFKYDJHIDKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-4-9-5-6-12-10(7-9)11(13-2)8-14-12/h5-7,11,13H,3-4,8H2,1-2H3.
What are the key properties of N-methyl-5-propyl-2,3-dihydro-1-benzofuran-3-amine?
N-methyl-5-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 191.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 62549578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).