1-(7-methyl-1-benzofuran-2-yl)propan-1-amine

C12H15NO — CID 65440950

IUPAC1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
SMILESCCC(N)c1cc2cccc(C)c2o1
InChIInChI=1S/C12H15NO/c1-3-10(13)11-7-9-6-4-5-8(2)12(9)14-11/h4-7,10H,3,13H2,1-2H3
InChIKeyZSRREJKOQUUILI-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.15
Rot. Bonds2

About 1-(7-methyl-1-benzofuran-2-yl)propan-1-amine

1-(7-methyl-1-benzofuran-2-yl)propan-1-amine (PubChem CID 65440950) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(7-methyl-1-benzofuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
PubChem CID65440950
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
SMILESCCC(N)c1cc2cccc(C)c2o1
InChIInChI=1S/C12H15NO/c1-3-10(13)11-7-9-6-4-5-8(2)12(9)14-11/h4-7,10H,3,13H2,1-2H3
InChIKeyZSRREJKOQUUILI-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

3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 114728058
2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114728880
1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine
CID 114727504
1-(7-methoxy-1-benzofuran-2-yl)propan-1-amine
CID 65438646
1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 105185601
1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine
CID 114728378
2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine
CID 114729527
1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65441138
1-(5-bromo-7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65438311
2-(7-methyl-1-benzofuran-2-yl)butanoic acid
CID 82614755
1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine
CID 114729408
2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine
CID 114222058

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)propan-1-amine?
The IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)propan-1-amine (CID 65440950) is 1-(7-methyl-1-benzofuran-2-yl)propan-1-amine.
What is the SMILES notation for 1-(7-methyl-1-benzofuran-2-yl)propan-1-amine?
The canonical SMILES for 1-(7-methyl-1-benzofuran-2-yl)propan-1-amine is CCC(N)c1cc2cccc(C)c2o1.
What is the InChIKey of 1-(7-methyl-1-benzofuran-2-yl)propan-1-amine?
The InChIKey is ZSRREJKOQUUILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-10(13)11-7-9-6-4-5-8(2)12(9)14-11/h4-7,10H,3,13H2,1-2H3.
What are the key properties of 1-(7-methyl-1-benzofuran-2-yl)propan-1-amine?
1-(7-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-(7-methyl-1-benzofuran-2-yl)propan-1-amine is sourced from PubChem (CID 65440950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).