[3-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrrolidin-3-yl]methanamine

C20H28N2O — CID 120773135

IUPAC[3-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCC(C)Oc1ccc2ccccc2c1CN1CCC(C)(CN)C1
InChIInChI=1S/C20H28N2O/c1-15(2)23-19-9-8-16-6-4-5-7-17(16)18(19)12-22-11-10-20(3,13-21)14-22/h4-9,15H,10-14,21H2,1-3H3
InChIKeyPDURGJGFOSFLDB-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.80
Rot. Bonds5

About [3-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrrolidin-3-yl]methanamine

[3-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 120773135) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is [3-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID120773135
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name[3-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCC(C)Oc1ccc2ccccc2c1CN1CCC(C)(CN)C1
InChIInChI=1S/C20H28N2O/c1-15(2)23-19-9-8-16-6-4-5-7-17(16)18(19)12-22-11-10-20(3,13-21)14-22/h4-9,15H,10-14,21H2,1-3H3
InChIKeyPDURGJGFOSFLDB-UHFFFAOYSA-N
XLogP3.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrrolidin-3-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 [3-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrrolidin-3-yl]methanamine (CID 120773135) is [3-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrrolidin-3-yl]methanamine is CC(C)Oc1ccc2ccccc2c1CN1CCC(C)(CN)C1.
What is the InChIKey of [3-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is PDURGJGFOSFLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-15(2)23-19-9-8-16-6-4-5-7-17(16)18(19)12-22-11-10-20(3,13-21)14-22/h4-9,15H,10-14,21H2,1-3H3.
What are the key properties of [3-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrrolidin-3-yl]methanamine?
[3-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 312.46 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120773135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).