2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine

C18H25NO — CID 43297160

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESCC1Cc2cc(C(N)CC3CC4CCC3C4)ccc2O1
InChIInChI=1S/C18H25NO/c1-11-6-16-9-14(4-5-18(16)20-11)17(19)10-15-8-12-2-3-13(15)7-12/h4-5,9,11-13,15,17H,2-3,6-8,10,19H2,1H3
InChIKeyOUSUFSIWBHSLOF-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.84
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine (PubChem CID 43297160) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
PubChem CID43297160
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESCC1Cc2cc(C(N)CC3CC4CCC3C4)ccc2O1
InChIInChI=1S/C18H25NO/c1-11-6-16-9-14(4-5-18(16)20-11)17(19)10-15-8-12-2-3-13(15)7-12/h4-5,9,11-13,15,17H,2-3,6-8,10,19H2,1H3
InChIKeyOUSUFSIWBHSLOF-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine with MolForge

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Related Compounds

(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine
CID 42129700
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 79557851
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine
CID 43297168
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755618
2-[2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]acetamide
CID 61328585
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43104194
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197828
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789651
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine
CID 63502032
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
CID 105027565
2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine
CID 43297172
2-(2-bicyclo[2.2.1]heptanyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 105012668

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine (CID 43297160) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine is CC1Cc2cc(C(N)CC3CC4CCC3C4)ccc2O1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The InChIKey is OUSUFSIWBHSLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-11-6-16-9-14(4-5-18(16)20-11)17(19)10-15-8-12-2-3-13(15)7-12/h4-5,9,11-13,15,17H,2-3,6-8,10,19H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine has a molecular weight of 271.40 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 43297160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).