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

C18H23NO — CID 80701361

IUPACN-(1-benzofuran-3-ylmethyl)-1-(2-bicyclo[2.2.1]heptanyl)ethanamine
SMILESCC(NCc1coc2ccccc12)C1CC2CCC1C2
InChIInChI=1S/C18H23NO/c1-12(17-9-13-6-7-14(17)8-13)19-10-15-11-20-18-5-3-2-4-16(15)18/h2-5,11-14,17,19H,6-10H2,1H3
InChIKeyYACFBZTYJNYMEK-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.35
Rot. Bonds4

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

N-(1-benzofuran-3-ylmethyl)-1-(2-bicyclo[2.2.1]heptanyl)ethanamine (PubChem CID 80701361) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-1-(2-bicyclo[2.2.1]heptanyl)ethanamine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-1-(2-bicyclo[2.2.1]heptanyl)ethanamine
PubChem CID80701361
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-(1-benzofuran-3-ylmethyl)-1-(2-bicyclo[2.2.1]heptanyl)ethanamine
SMILESCC(NCc1coc2ccccc12)C1CC2CCC1C2
InChIInChI=1S/C18H23NO/c1-12(17-9-13-6-7-14(17)8-13)19-10-15-11-20-18-5-3-2-4-16(15)18/h2-5,11-14,17,19H,6-10H2,1H3
InChIKeyYACFBZTYJNYMEK-UHFFFAOYSA-N
XLogP4.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 43081550
N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine
CID 79690307
(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-bromophenyl)methyl]ethanamine
CID 129428903
(1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 129428816
N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)ethanamine
CID 43178334
(E)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805815
N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine
CID 80700753
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43312604
2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
CID 98513197
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 43178335
4-[[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]methyl]-6,7-dimethylchromen-2-one
CID 98443265
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine
CID 43178312

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-(2-bicyclo[2.2.1]heptanyl)ethanamine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-(2-bicyclo[2.2.1]heptanyl)ethanamine (CID 80701361) is N-(1-benzofuran-3-ylmethyl)-1-(2-bicyclo[2.2.1]heptanyl)ethanamine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-1-(2-bicyclo[2.2.1]heptanyl)ethanamine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-1-(2-bicyclo[2.2.1]heptanyl)ethanamine is CC(NCc1coc2ccccc12)C1CC2CCC1C2.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-1-(2-bicyclo[2.2.1]heptanyl)ethanamine?
The InChIKey is YACFBZTYJNYMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12(17-9-13-6-7-14(17)8-13)19-10-15-11-20-18-5-3-2-4-16(15)18/h2-5,11-14,17,19H,6-10H2,1H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-1-(2-bicyclo[2.2.1]heptanyl)ethanamine?
N-(1-benzofuran-3-ylmethyl)-1-(2-bicyclo[2.2.1]heptanyl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-1-(2-bicyclo[2.2.1]heptanyl)ethanamine is sourced from PubChem (CID 80701361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).