1-(5-methyl-1-benzofuran-2-yl)propan-1-amine

C12H15NO — CID 65440376

IUPAC1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
SMILESCCC(N)c1cc2cc(C)ccc2o1
InChIInChI=1S/C12H15NO/c1-3-10(13)12-7-9-6-8(2)4-5-11(9)14-12/h4-7,10H,3,13H2,1-2H3
InChIKeyUYQGMRYVVUUJHU-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.15
Rot. Bonds2

About 1-(5-methyl-1-benzofuran-2-yl)propan-1-amine

1-(5-methyl-1-benzofuran-2-yl)propan-1-amine (PubChem CID 65440376) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(5-methyl-1-benzofuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
PubChem CID65440376
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
SMILESCCC(N)c1cc2cc(C)ccc2o1
InChIInChI=1S/C12H15NO/c1-3-10(13)12-7-9-6-8(2)4-5-11(9)14-12/h4-7,10H,3,13H2,1-2H3
InChIKeyUYQGMRYVVUUJHU-UHFFFAOYSA-N
XLogP3.15
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409
[2-ethyl-1-(5-methyl-1-benzofuran-2-yl)butyl]hydrazine
CID 105324027
4-methyl-1-(5-methyl-1-benzofuran-2-yl)pent-4-en-1-amine
CID 105182549
1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163947
N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045193
2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114729833
1-(5-methyl-1-benzofuran-2-yl)-2-phenylbutan-1-amine
CID 105045260
[2-ethoxy-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine
CID 105235203
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
[3-ethoxy-1-(5-methyl-1-benzofuran-2-yl)propyl]hydrazine
CID 105338315
N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045170
1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 60918146

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)propan-1-amine?
The IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)propan-1-amine (CID 65440376) is 1-(5-methyl-1-benzofuran-2-yl)propan-1-amine.
What is the SMILES notation for 1-(5-methyl-1-benzofuran-2-yl)propan-1-amine?
The canonical SMILES for 1-(5-methyl-1-benzofuran-2-yl)propan-1-amine is CCC(N)c1cc2cc(C)ccc2o1.
What is the InChIKey of 1-(5-methyl-1-benzofuran-2-yl)propan-1-amine?
The InChIKey is UYQGMRYVVUUJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-10(13)12-7-9-6-8(2)4-5-11(9)14-12/h4-7,10H,3,13H2,1-2H3.
What are the key properties of 1-(5-methyl-1-benzofuran-2-yl)propan-1-amine?
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine has a molecular weight of 189.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-benzofuran-2-yl)propan-1-amine is sourced from PubChem (CID 65440376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).