(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine

C16H23NO — CID 81395215

IUPAC(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
SMILESC[C@H](NCC1COc2ccccc21)C1CCCC1
InChIInChI=1S/C16H23NO/c1-12(13-6-2-3-7-13)17-10-14-11-18-16-9-5-4-8-15(14)16/h4-5,8-9,12-14,17H,2-3,6-7,10-11H2,1H3/t12-,14?/m0/s1
InChIKeyCFAIULIXMZTQRO-NBFOIZRFSA-N
MW245.37 g/mol
LogP3.33
Rot. Bonds4

About (1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine

(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine (PubChem CID 81395215) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
PubChem CID81395215
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
SMILESC[C@H](NCC1COc2ccccc21)C1CCCC1
InChIInChI=1S/C16H23NO/c1-12(13-6-2-3-7-13)17-10-14-11-18-16-9-5-4-8-15(14)16/h4-5,8-9,12-14,17H,2-3,6-7,10-11H2,1H3/t12-,14?/m0/s1
InChIKeyCFAIULIXMZTQRO-NBFOIZRFSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79227058
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-2-amine
CID 79226758
1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine
CID 43769170
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopentylethanamine
CID 62633000
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine
CID 79226351
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-iodo-3-methylbutan-2-amine
CID 107859372
(1R)-1-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81384440
(1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81383137
1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 112570233
3-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79229188
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine
CID 79226192

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine (CID 81395215) is (1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine is C[C@H](NCC1COc2ccccc21)C1CCCC1.
What is the InChIKey of (1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine?
The InChIKey is CFAIULIXMZTQRO-NBFOIZRFSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(13-6-2-3-7-13)17-10-14-11-18-16-9-5-4-8-15(14)16/h4-5,8-9,12-14,17H,2-3,6-7,10-11H2,1H3/t12-,14?/m0/s1.
What are the key properties of (1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine?
(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine has a molecular weight of 245.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine is sourced from PubChem (CID 81395215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).