(5-chloro-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-yl)methanamine

C12H14ClNO — CID 11379089

IUPAC(5-chloro-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-yl)methanamine
SMILESNCC1Cc2cc(Cl)c3c(c2O1)CCC3
InChIInChI=1S/C12H14ClNO/c13-11-5-7-4-8(6-14)15-12(7)10-3-1-2-9(10)11/h5,8H,1-4,6,14H2
InChIKeyMUTGQMXWBKRZCP-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.09
Rot. Bonds1

About (5-chloro-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-yl)methanamine

(5-chloro-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-yl)methanamine (PubChem CID 11379089) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is (5-chloro-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-yl)methanamine
PubChem CID11379089
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name(5-chloro-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-yl)methanamine
SMILESNCC1Cc2cc(Cl)c3c(c2O1)CCC3
InChIInChI=1S/C12H14ClNO/c13-11-5-7-4-8(6-14)15-12(7)10-3-1-2-9(10)11/h5,8H,1-4,6,14H2
InChIKeyMUTGQMXWBKRZCP-UHFFFAOYSA-N
XLogP2.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-chloro-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Benzofuranmethylamine, 2,3-dihydro-5-chloro-, hydrochloride
CID 34439
2-(4-Chloro-2-isopropyl-5-methylphenoxy)ethanamine
CID 5296008
(+)-1-(3,6,7,8-tetrahydro-2H-indeno[4,5-b]furan-2-yl)methanamine
CID 11480921
(5-Chloro-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 34440
[5-Chloro-7-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11220163
[5-Chloro-7-(2,3-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11243396
[5-Chloro-7-(3,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11243397
(+/-)-1-[7-(2-Chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11288935
[5-Chloro-7-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11335421
[5-Chloro-7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11357902
[5-Chloro-7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11370364
(+/-)-1-[7-(3-Chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960666

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-yl)methanamine?
The IUPAC name of (5-chloro-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-yl)methanamine (CID 11379089) is (5-chloro-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-chloro-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-yl)methanamine?
The canonical SMILES for (5-chloro-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-yl)methanamine is NCC1Cc2cc(Cl)c3c(c2O1)CCC3.
What is the InChIKey of (5-chloro-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-yl)methanamine?
The InChIKey is MUTGQMXWBKRZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-11-5-7-4-8(6-14)15-12(7)10-3-1-2-9(10)11/h5,8H,1-4,6,14H2.
What are the key properties of (5-chloro-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-yl)methanamine?
(5-chloro-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-yl)methanamine has a molecular weight of 223.70 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-yl)methanamine is sourced from PubChem (CID 11379089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).