3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylprop-2-en-1-amine

C19H27NO — CID 176731872

IUPAC3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylprop-2-en-1-amine
SMILESCN(CC=CC1CCCCC1)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C19H27NO/c1-20(12-5-8-16-6-3-2-4-7-16)15-17-9-10-19-18(14-17)11-13-21-19/h5,8-10,14,16H,2-4,6-7,11-13,15H2,1H3
InChIKeyXVEBCLHLFNHHOY-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.19
Rot. Bonds5

About 3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylprop-2-en-1-amine

3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylprop-2-en-1-amine (PubChem CID 176731872) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylprop-2-en-1-amine
PubChem CID176731872
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylprop-2-en-1-amine
SMILESCN(CC=CC1CCCCC1)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C19H27NO/c1-20(12-5-8-16-6-3-2-4-7-16)15-17-9-10-19-18(14-17)11-13-21-19/h5,8-10,14,16H,2-4,6-7,11-13,15H2,1H3
InChIKeyXVEBCLHLFNHHOY-UHFFFAOYSA-N
XLogP4.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine
CID 176731758
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine
CID 176731852
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
CID 115118047
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 106623790
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)acetamide
CID 71933671
2-chloro-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylethanamine
CID 115214963
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine
CID 176731854
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
CID 115216972
2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol
CID 114794918
magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide
CID 156847219
1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol
CID 115137029

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylprop-2-en-1-amine (CID 176731872) is 3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylprop-2-en-1-amine is CN(CC=CC1CCCCC1)Cc1ccc2c(c1)CCO2.
What is the InChIKey of 3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylprop-2-en-1-amine?
The InChIKey is XVEBCLHLFNHHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-20(12-5-8-16-6-3-2-4-7-16)15-17-9-10-19-18(14-17)11-13-21-19/h5,8-10,14,16H,2-4,6-7,11-13,15H2,1H3.
What are the key properties of 3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylprop-2-en-1-amine?
3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylprop-2-en-1-amine has a molecular weight of 285.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 176731872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).