6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C17H26N2O2 — CID 103532534

IUPAC6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCOC1CN(C2CCCc3ccccc3C2N)CC1OC
InChIInChI=1S/C17H26N2O2/c1-20-15-10-19(11-16(15)21-2)14-9-5-7-12-6-3-4-8-13(12)17(14)18/h3-4,6,8,14-17H,5,7,9-11,18H2,1-2H3
InChIKeyDFJRKFLCGZNCHJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.74
Rot. Bonds3

About 6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 103532534) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID103532534
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCOC1CN(C2CCCc3ccccc3C2N)CC1OC
InChIInChI=1S/C17H26N2O2/c1-20-15-10-19(11-16(15)21-2)14-9-5-7-12-6-3-4-8-13(12)17(14)18/h3-4,6,8,14-17H,5,7,9-11,18H2,1-2H3
InChIKeyDFJRKFLCGZNCHJ-UHFFFAOYSA-N
XLogP1.74
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine with MolForge

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Related Compounds

6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16783923
2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62204652
2-(3-methoxypiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 102965518
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681
6-(2,2-dimethylpyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63219890
(11S,11aS)-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine
CID 54082330
6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62141015
6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16787660
2-(4,4-dimethylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65281364
6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64745151
2-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62200551
6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16783124

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 103532534) is 6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is COC1CN(C2CCCc3ccccc3C2N)CC1OC.
What is the InChIKey of 6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is DFJRKFLCGZNCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-20-15-10-19(11-16(15)21-2)14-9-5-7-12-6-3-4-8-13(12)17(14)18/h3-4,6,8,14-17H,5,7,9-11,18H2,1-2H3.
What are the key properties of 6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 290.41 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 103532534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).