(2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine

C12H15NO — CID 146610837

IUPAC(2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine
SMILESC[C@@H]1Cc2cc3c(c(N)c2O1)CCC3
InChIInChI=1S/C12H15NO/c1-7-5-9-6-8-3-2-4-10(8)11(13)12(9)14-7/h6-7H,2-5,13H2,1H3/t7-/m1/s1
InChIKeyROBACRBYWJLRSD-SSDOTTSWSA-N
MW189.26 g/mol
LogP2.08
Rot. Bonds

About (2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine

(2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine (PubChem CID 146610837) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine.

Molecular Properties

Compound Name(2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine
PubChem CID146610837
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine
SMILESC[C@@H]1Cc2cc3c(c(N)c2O1)CCC3
InChIInChI=1S/C12H15NO/c1-7-5-9-6-8-3-2-4-10(8)11(13)12(9)14-7/h6-7H,2-5,13H2,1H3/t7-/m1/s1
InChIKeyROBACRBYWJLRSD-SSDOTTSWSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-amine
CID 115010472
ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 145387694
(2R)-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-amine
CID 86718009
2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 146303850
3-methoxy-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 165370015
2-amino-1-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 84786834
6-cyclopropyl-5-methyl-2,3-dihydro-1H-inden-4-amine
CID 146570694
5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine
CID 146380579
2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
CID 115010473
7-(2,6-dimethylphenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran
CID 69177692
2-methyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1-benzofuran-5-amine
CID 54496733
3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine
CID 122480718

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine?
The IUPAC name of (2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine (CID 146610837) is (2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine.
What is the SMILES notation for (2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine?
The canonical SMILES for (2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine is C[C@@H]1Cc2cc3c(c(N)c2O1)CCC3.
What is the InChIKey of (2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine?
The InChIKey is ROBACRBYWJLRSD-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H15NO/c1-7-5-9-6-8-3-2-4-10(8)11(13)12(9)14-7/h6-7H,2-5,13H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine?
(2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine has a molecular weight of 189.26 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine is sourced from PubChem (CID 146610837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).