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

C19H27NO — CID 43761065

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
SMILESCC(NC(C)C1CC2CCC1C2)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H27NO/c1-12(15-5-6-19-17(11-15)7-8-21-19)20-13(2)18-10-14-3-4-16(18)9-14/h5-6,11-14,16,18,20H,3-4,7-10H2,1-2H3
InChIKeyJMPPOUZVJDYRJG-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.10
Rot. Bonds4

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

1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine (PubChem CID 43761065) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
PubChem CID43761065
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
SMILESCC(NC(C)C1CC2CCC1C2)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H27NO/c1-12(15-5-6-19-17(11-15)7-8-21-19)20-13(2)18-10-14-3-4-16(18)9-14/h5-6,11-14,16,18,20H,3-4,7-10H2,1-2H3
InChIKeyJMPPOUZVJDYRJG-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

1-cyclohexyl-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 62405191
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
CID 43754666
(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81347474
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylpentan-2-amine
CID 43775759
(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81406233
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 61473512
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethylbutan-1-amine
CID 115718022
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpentan-3-amine
CID 54954752
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide
CID 43777118
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 43756029
(1S)-1-(3-bromophenyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 81382292
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine
CID 115714913

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine (CID 43761065) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine is CC(NC(C)C1CC2CCC1C2)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine?
The InChIKey is JMPPOUZVJDYRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-12(15-5-6-19-17(11-15)7-8-21-19)20-13(2)18-10-14-3-4-16(18)9-14/h5-6,11-14,16,18,20H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine has a molecular weight of 285.43 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-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine is sourced from PubChem (CID 43761065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).