2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine

C12H17NO — CID 117282534

IUPAC2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
SMILESCc1cc(C(C)(C)N)cc2c1OCC2
InChIInChI=1S/C12H17NO/c1-8-6-10(12(2,3)13)7-9-4-5-14-11(8)9/h6-7H,4-5,13H2,1-3H3
InChIKeyFDBUNDJZIYCYHG-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.12
Rot. Bonds1

About 2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine

2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine (PubChem CID 117282534) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
PubChem CID117282534
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
SMILESCc1cc(C(C)(C)N)cc2c1OCC2
InChIInChI=1S/C12H17NO/c1-8-6-10(12(2,3)13)7-9-4-5-14-11(8)9/h6-7H,4-5,13H2,1-3H3
InChIKeyFDBUNDJZIYCYHG-UHFFFAOYSA-N
XLogP2.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2,6-dimethylphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 173159803
methyl-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)phosphane
CID 143317684
[5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703299
2-(3,4-dihydro-1H-isochromen-6-yl)propan-2-amine
CID 82604168
ethane;7-methyl-2,3-dihydro-1-benzofuran
CID 91503061
ethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran
CID 177214189
[1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117366230
9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-7-ol
CID 102149497
1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine
CID 114743817
ethane;7-methyl-2,3-dihydrofuro[3,2-c]pyridine
CID 163273368
5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran
CID 23543547
CID 176900268
CID 176900268

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine?
The IUPAC name of 2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine (CID 117282534) is 2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine.
What is the SMILES notation for 2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine?
The canonical SMILES for 2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine is Cc1cc(C(C)(C)N)cc2c1OCC2.
What is the InChIKey of 2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine?
The InChIKey is FDBUNDJZIYCYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-6-10(12(2,3)13)7-9-4-5-14-11(8)9/h6-7H,4-5,13H2,1-3H3.
What are the key properties of 2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine?
2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine has a molecular weight of 191.27 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine is sourced from PubChem (CID 117282534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).