1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine

C15H19NO — CID 105163947

IUPAC1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(N)c1cc2cc(C)ccc2o1
InChIInChI=1S/C15H19NO/c1-4-10(2)8-13(16)15-9-12-7-11(3)5-6-14(12)17-15/h5-7,9,13H,2,4,8,16H2,1,3H3
InChIKeyACJCVLDXSRSISY-UHFFFAOYSA-N
MW229.32 g/mol
LogP4.10
Rot. Bonds4

About 1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine

1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine (PubChem CID 105163947) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
PubChem CID105163947
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(N)c1cc2cc(C)ccc2o1
InChIInChI=1S/C15H19NO/c1-4-10(2)8-13(16)15-9-12-7-11(3)5-6-14(12)17-15/h5-7,9,13H,2,4,8,16H2,1,3H3
InChIKeyACJCVLDXSRSISY-UHFFFAOYSA-N
XLogP4.10
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163930
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
4-methyl-1-(5-methyl-1-benzofuran-2-yl)pent-4-en-1-amine
CID 105182549
1-(5-methylfuran-2-yl)-3-methylidenepentan-1-amine
CID 105005843
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409
[2-ethyl-1-(5-methyl-1-benzofuran-2-yl)butyl]hydrazine
CID 105324027
1-(5-methyl-1-benzofuran-2-yl)but-3-enylhydrazine
CID 105269594
2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114729833
ethyl 3-methyl-2-(5-methyl-1-benzofuran-2-yl)butanoate
CID 114732654
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol
CID 114727398

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine?
The IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine (CID 105163947) is 1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine.
What is the SMILES notation for 1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine?
The canonical SMILES for 1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine is C=C(CC)CC(N)c1cc2cc(C)ccc2o1.
What is the InChIKey of 1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine?
The InChIKey is ACJCVLDXSRSISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-10(2)8-13(16)15-9-12-7-11(3)5-6-14(12)17-15/h5-7,9,13H,2,4,8,16H2,1,3H3.
What are the key properties of 1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine?
1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 4.10, 4 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)-3-methylidenepentan-1-amine is sourced from PubChem (CID 105163947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).