1-[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine

C23H38N2O2 — CID 59837509

IUPAC1-[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine
SMILESC[C@@H]1CC[C@@H](C)N1CCCOc1ccc(C2(CN(C)C)CCOCC2)cc1
InChIInChI=1S/C23H38N2O2/c1-19-6-7-20(2)25(19)14-5-15-27-22-10-8-21(9-11-22)23(18-24(3)4)12-16-26-17-13-23/h8-11,19-20H,5-7,12-18H2,1-4H3/t19-,20-/m1/s1
InChIKeyUPHRKBXEQZNQTE-WOJBJXKFSA-N
MW374.57 g/mol
LogP3.94
Rot. Bonds8

About 1-[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine

1-[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine (PubChem CID 59837509) has the molecular formula C23H38N2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 1-[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine
PubChem CID59837509
Molecular FormulaC23H38N2O2
Molecular Weight374.57 g/mol
Exact Mass374.29
IUPAC Name1-[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine
SMILESC[C@@H]1CC[C@@H](C)N1CCCOc1ccc(C2(CN(C)C)CCOCC2)cc1
InChIInChI=1S/C23H38N2O2/c1-19-6-7-20(2)25(19)14-5-15-27-22-10-8-21(9-11-22)23(18-24(3)4)12-16-26-17-13-23/h8-11,19-20H,5-7,12-18H2,1-4H3/t19-,20-/m1/s1
InChIKeyUPHRKBXEQZNQTE-WOJBJXKFSA-N
XLogP3.94
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine 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-[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine (CID 59837509) is 1-[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine is C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(C2(CN(C)C)CCOCC2)cc1.
What is the InChIKey of 1-[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine?
The InChIKey is UPHRKBXEQZNQTE-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H38N2O2/c1-19-6-7-20(2)25(19)14-5-15-27-22-10-8-21(9-11-22)23(18-24(3)4)12-16-26-17-13-23/h8-11,19-20H,5-7,12-18H2,1-4H3/t19-,20-/m1/s1.
What are the key properties of 1-[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine?
1-[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine has a molecular weight of 374.57 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 59837509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).