2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethanamine

C20H21NO — CID 53239082

IUPAC2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethanamine
SMILESNCCC1=C(Cc2ccccc2)Cc2ccc3c(c21)CCO3
InChIInChI=1S/C20H21NO/c21-10-8-17-16(12-14-4-2-1-3-5-14)13-15-6-7-19-18(20(15)17)9-11-22-19/h1-7H,8-13,21H2
InChIKeyOEGHXHDMIJBDDE-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.52
Rot. Bonds4

About 2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethanamine

2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethanamine (PubChem CID 53239082) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethanamine.

Molecular Properties

Compound Name2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethanamine
PubChem CID53239082
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethanamine
SMILESNCCC1=C(Cc2ccccc2)Cc2ccc3c(c21)CCO3
InChIInChI=1S/C20H21NO/c21-10-8-17-16(12-14-4-2-1-3-5-14)13-15-6-7-19-18(20(15)17)9-11-22-19/h1-7H,8-13,21H2
InChIKeyOEGHXHDMIJBDDE-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 82374515
4,5-diphenyl-2,3-dihydro-1-benzofuran
CID 154231459
4-benzyl-6-methyl-2,3-dihydro-1-benzofuran
CID 146249900
2-(2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 82415104
8,22-dioxa-2-azaheptacyclo[14.10.0.03,14.04,12.05,9.018,26.021,25]hexacosa-1,3(14),4(12),5(9),10,15,18(26),19,21(25)-nonaene
CID 162691750
N-[2-(7-pyridin-3-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide
CID 53238185
N-[2-(7-propan-2-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide
CID 53237946
4-(2,3-dihydro-1-benzofuran-4-yl)butan-1-amine
CID 117282588
(2E)-N-methyl-2-(1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene)ethanamine
CID 71141513
(8E)-8-(isocyanomethylidene)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran
CID 58409727
1,2-dihydrobenzo[e][1]benzofuran;hydrate
CID 118007569
3-(2,3,7,8-tetrahydrofuro[2,3-g]indol-1-yl)propan-1-amine
CID 70110776

Frequently Asked Questions

What is the IUPAC name of 2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethanamine?
The IUPAC name of 2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethanamine (CID 53239082) is 2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethanamine.
What is the SMILES notation for 2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethanamine?
The canonical SMILES for 2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethanamine is NCCC1=C(Cc2ccccc2)Cc2ccc3c(c21)CCO3.
What is the InChIKey of 2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethanamine?
The InChIKey is OEGHXHDMIJBDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c21-10-8-17-16(12-14-4-2-1-3-5-14)13-15-6-7-19-18(20(15)17)9-11-22-19/h1-7H,8-13,21H2.
What are the key properties of 2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethanamine?
2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethanamine has a molecular weight of 291.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethanamine is sourced from PubChem (CID 53239082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).