1-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine

C12H17NO — CID 117202827

IUPAC1-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine
SMILESCc1ccc2c(c1)OC(CC(C)N)C2
InChIInChI=1S/C12H17NO/c1-8-3-4-10-7-11(6-9(2)13)14-12(10)5-8/h3-5,9,11H,6-7,13H2,1-2H3
InChIKeyFPNZFWMOTYCVEA-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.04
Rot. Bonds2

About 1-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine

1-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine (PubChem CID 117202827) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine
PubChem CID117202827
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine
SMILESCc1ccc2c(c1)OC(CC(C)N)C2
InChIInChI=1S/C12H17NO/c1-8-3-4-10-7-11(6-9(2)13)14-12(10)5-8/h3-5,9,11H,6-7,13H2,1-2H3
InChIKeyFPNZFWMOTYCVEA-UHFFFAOYSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-[(6-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]hydroxylamine
CID 117202822
4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine
CID 66394102
2-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)acetamide
CID 121345059
3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine
CID 66360046
2-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360254
4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol
CID 66360465
3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol
CID 66393909
1-(4-chlorophenyl)-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine
CID 66391385
2-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 66361453
5-hydroxy-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-one
CID 103344026
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine?
The IUPAC name of 1-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine (CID 117202827) is 1-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine.
What is the SMILES notation for 1-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine?
The canonical SMILES for 1-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine is Cc1ccc2c(c1)OC(CC(C)N)C2.
What is the InChIKey of 1-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine?
The InChIKey is FPNZFWMOTYCVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-3-4-10-7-11(6-9(2)13)14-12(10)5-8/h3-5,9,11H,6-7,13H2,1-2H3.
What are the key properties of 1-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine?
1-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine has a molecular weight of 191.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine is sourced from PubChem (CID 117202827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).