[1-(3-methoxypyrrolidin-1-yl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine

C17H26N2O — CID 103531566

IUPAC[1-(3-methoxypyrrolidin-1-yl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine
SMILESCOC1CCN(C2(CN)CCC(C)c3ccccc32)C1
InChIInChI=1S/C17H26N2O/c1-13-7-9-17(12-18,16-6-4-3-5-15(13)16)19-10-8-14(11-19)20-2/h3-6,13-14H,7-12,18H2,1-2H3
InChIKeyCLODALJQGWEFSE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.46
Rot. Bonds3

About [1-(3-methoxypyrrolidin-1-yl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine

[1-(3-methoxypyrrolidin-1-yl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine (PubChem CID 103531566) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [1-(3-methoxypyrrolidin-1-yl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methoxypyrrolidin-1-yl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine
PubChem CID103531566
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[1-(3-methoxypyrrolidin-1-yl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine
SMILESCOC1CCN(C2(CN)CCC(C)c3ccccc32)C1
InChIInChI=1S/C17H26N2O/c1-13-7-9-17(12-18,16-6-4-3-5-15(13)16)19-10-8-14(11-19)20-2/h3-6,13-14H,7-12,18H2,1-2H3
InChIKeyCLODALJQGWEFSE-UHFFFAOYSA-N
XLogP2.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3-methoxypyrrolidin-1-yl)-4-methyl-3,4-dihydro-2H-naphthalen-1-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

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxypyrrolidin-1-yl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
The IUPAC name of [1-(3-methoxypyrrolidin-1-yl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine (CID 103531566) is [1-(3-methoxypyrrolidin-1-yl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine.
What is the SMILES notation for [1-(3-methoxypyrrolidin-1-yl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
The canonical SMILES for [1-(3-methoxypyrrolidin-1-yl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine is COC1CCN(C2(CN)CCC(C)c3ccccc32)C1.
What is the InChIKey of [1-(3-methoxypyrrolidin-1-yl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
The InChIKey is CLODALJQGWEFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-7-9-17(12-18,16-6-4-3-5-15(13)16)19-10-8-14(11-19)20-2/h3-6,13-14H,7-12,18H2,1-2H3.
What are the key properties of [1-(3-methoxypyrrolidin-1-yl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
[1-(3-methoxypyrrolidin-1-yl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxypyrrolidin-1-yl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine is sourced from PubChem (CID 103531566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).