7-methyl-N-(2-phenylethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-amine

C20H22N2 — CID 59014602

IUPAC7-methyl-N-(2-phenylethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-amine
SMILESCc1ccc2[nH]c3c(c2c1)CCC3NCCc1ccccc1
InChIInChI=1S/C20H22N2/c1-14-7-9-18-17(13-14)16-8-10-19(20(16)22-18)21-12-11-15-5-3-2-4-6-15/h2-7,9,13,19,21-22H,8,10-12H2,1H3
InChIKeyIJJHROPJTXKISO-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.30
Rot. Bonds4

About 7-methyl-N-(2-phenylethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-amine

7-methyl-N-(2-phenylethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-amine (PubChem CID 59014602) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 7-methyl-N-(2-phenylethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-amine.

Molecular Properties

Compound Name7-methyl-N-(2-phenylethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-amine
PubChem CID59014602
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name7-methyl-N-(2-phenylethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-amine
SMILESCc1ccc2[nH]c3c(c2c1)CCC3NCCc1ccccc1
InChIInChI=1S/C20H22N2/c1-14-7-9-18-17(13-14)16-8-10-19(20(16)22-18)21-12-11-15-5-3-2-4-6-15/h2-7,9,13,19,21-22H,8,10-12H2,1H3
InChIKeyIJJHROPJTXKISO-UHFFFAOYSA-N
XLogP4.30
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-phenylethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-amine?
The IUPAC name of 7-methyl-N-(2-phenylethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-amine (CID 59014602) is 7-methyl-N-(2-phenylethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-amine.
What is the SMILES notation for 7-methyl-N-(2-phenylethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-amine?
The canonical SMILES for 7-methyl-N-(2-phenylethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-amine is Cc1ccc2[nH]c3c(c2c1)CCC3NCCc1ccccc1.
What is the InChIKey of 7-methyl-N-(2-phenylethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-amine?
The InChIKey is IJJHROPJTXKISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-14-7-9-18-17(13-14)16-8-10-19(20(16)22-18)21-12-11-15-5-3-2-4-6-15/h2-7,9,13,19,21-22H,8,10-12H2,1H3.
What are the key properties of 7-methyl-N-(2-phenylethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-amine?
7-methyl-N-(2-phenylethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-amine has a molecular weight of 290.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-phenylethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-amine is sourced from PubChem (CID 59014602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).