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

C18H25NO — CID 66348195

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
SMILESCC(NCC1Cc2ccccc2O1)C1CC2CCC1C2
InChIInChI=1S/C18H25NO/c1-12(17-9-13-6-7-14(17)8-13)19-11-16-10-15-4-2-3-5-18(15)20-16/h2-5,12-14,16-17,19H,6-11H2,1H3
InChIKeyTVCJNJBVMLVWCS-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.40
Rot. Bonds4

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

1-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine (PubChem CID 66348195) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
PubChem CID66348195
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
SMILESCC(NCC1Cc2ccccc2O1)C1CC2CCC1C2
InChIInChI=1S/C18H25NO/c1-12(17-9-13-6-7-14(17)8-13)19-11-16-10-15-4-2-3-5-18(15)20-16/h2-5,12-14,16-17,19H,6-11H2,1H3
InChIKeyTVCJNJBVMLVWCS-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine
CID 61003470
(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
CID 104867584
(1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 129428816
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 79036025
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine
CID 43178312
1-(5-bromofuran-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 104652832
4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)butan-2-amine
CID 83186640
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine
CID 54895979
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine
CID 66347030
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 61004141
1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 43081550

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine (CID 66348195) is 1-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine is CC(NCC1Cc2ccccc2O1)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine?
The InChIKey is TVCJNJBVMLVWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-12(17-9-13-6-7-14(17)8-13)19-11-16-10-15-4-2-3-5-18(15)20-16/h2-5,12-14,16-17,19H,6-11H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine has a molecular weight of 271.40 g/mol, XLogP of 3.40, 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-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine is sourced from PubChem (CID 66348195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).