4-(4-methoxyphenyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-amine

C18H20N2O — CID 89150721

IUPAC4-(4-methoxyphenyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-amine
SMILESCOc1ccc(N2c3ccc(N)cc3C3CCCC32)cc1
InChIInChI=1S/C18H20N2O/c1-21-14-8-6-13(7-9-14)20-17-4-2-3-15(17)16-11-12(19)5-10-18(16)20/h5-11,15,17H,2-4,19H2,1H3
InChIKeyFWHCOFFBWJRZOF-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.07
Rot. Bonds2

About 4-(4-methoxyphenyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-amine

4-(4-methoxyphenyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-amine (PubChem CID 89150721) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-amine
PubChem CID89150721
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4-(4-methoxyphenyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-amine
SMILESCOc1ccc(N2c3ccc(N)cc3C3CCCC32)cc1
InChIInChI=1S/C18H20N2O/c1-21-14-8-6-13(7-9-14)20-17-4-2-3-15(17)16-11-12(19)5-10-18(16)20/h5-11,15,17H,2-4,19H2,1H3
InChIKeyFWHCOFFBWJRZOF-UHFFFAOYSA-N
XLogP4.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-amine?
The IUPAC name of 4-(4-methoxyphenyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-amine (CID 89150721) is 4-(4-methoxyphenyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-amine is COc1ccc(N2c3ccc(N)cc3C3CCCC32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-amine?
The InChIKey is FWHCOFFBWJRZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-21-14-8-6-13(7-9-14)20-17-4-2-3-15(17)16-11-12(19)5-10-18(16)20/h5-11,15,17H,2-4,19H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-amine?
4-(4-methoxyphenyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-amine has a molecular weight of 280.37 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-amine is sourced from PubChem (CID 89150721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).