(3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxy-1-methylpyrrolidin-3-amine

C16H24N2O — CID 131939820

IUPAC(3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxy-1-methylpyrrolidin-3-amine
SMILESCCO[C@H]1CN(C)C[C@@H]1NC1Cc2ccccc2C1
InChIInChI=1S/C16H24N2O/c1-3-19-16-11-18(2)10-15(16)17-14-8-12-6-4-5-7-13(12)9-14/h4-7,14-17H,3,8-11H2,1-2H3/t15-,16-/m0/s1
InChIKeyCSJHIVYSLOKIDO-HOTGVXAUSA-N
MW260.38 g/mol
LogP1.46
Rot. Bonds4

About (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxy-1-methylpyrrolidin-3-amine

(3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxy-1-methylpyrrolidin-3-amine (PubChem CID 131939820) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxy-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxy-1-methylpyrrolidin-3-amine
PubChem CID131939820
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxy-1-methylpyrrolidin-3-amine
SMILESCCO[C@H]1CN(C)C[C@@H]1NC1Cc2ccccc2C1
InChIInChI=1S/C16H24N2O/c1-3-19-16-11-18(2)10-15(16)17-14-8-12-6-4-5-7-13(12)9-14/h4-7,14-17H,3,8-11H2,1-2H3/t15-,16-/m0/s1
InChIKeyCSJHIVYSLOKIDO-HOTGVXAUSA-N
XLogP1.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxy-1-methylpyrrolidin-3-amine 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 (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxy-1-methylpyrrolidin-3-amine?
The IUPAC name of (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxy-1-methylpyrrolidin-3-amine (CID 131939820) is (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxy-1-methylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxy-1-methylpyrrolidin-3-amine?
The canonical SMILES for (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxy-1-methylpyrrolidin-3-amine is CCO[C@H]1CN(C)C[C@@H]1NC1Cc2ccccc2C1.
What is the InChIKey of (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxy-1-methylpyrrolidin-3-amine?
The InChIKey is CSJHIVYSLOKIDO-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-19-16-11-18(2)10-15(16)17-14-8-12-6-4-5-7-13(12)9-14/h4-7,14-17H,3,8-11H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxy-1-methylpyrrolidin-3-amine?
(3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxy-1-methylpyrrolidin-3-amine has a molecular weight of 260.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxy-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 131939820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).