2-[4-[(2-methoxy-5-nitrophenyl)methylamino]-5-phenylpyrrolidin-3-yl]ethanol

C20H25N3O4 — CID 19974918

IUPAC2-[4-[(2-methoxy-5-nitrophenyl)methylamino]-5-phenylpyrrolidin-3-yl]ethanol
SMILESCOc1ccc([N+](=O)[O-])cc1CNC1C(CCO)CNC1c1ccccc1
InChIInChI=1S/C20H25N3O4/c1-27-18-8-7-17(23(25)26)11-16(18)13-22-20-15(9-10-24)12-21-19(20)14-5-3-2-4-6-14/h2-8,11,15,19-22,24H,9-10,12-13H2,1H3
InChIKeySJYUYNABQPJWEJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.40
Rot. Bonds8

About 2-[4-[(2-methoxy-5-nitrophenyl)methylamino]-5-phenylpyrrolidin-3-yl]ethanol

2-[4-[(2-methoxy-5-nitrophenyl)methylamino]-5-phenylpyrrolidin-3-yl]ethanol (PubChem CID 19974918) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[4-[(2-methoxy-5-nitrophenyl)methylamino]-5-phenylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-methoxy-5-nitrophenyl)methylamino]-5-phenylpyrrolidin-3-yl]ethanol
PubChem CID19974918
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-[4-[(2-methoxy-5-nitrophenyl)methylamino]-5-phenylpyrrolidin-3-yl]ethanol
SMILESCOc1ccc([N+](=O)[O-])cc1CNC1C(CCO)CNC1c1ccccc1
InChIInChI=1S/C20H25N3O4/c1-27-18-8-7-17(23(25)26)11-16(18)13-22-20-15(9-10-24)12-21-19(20)14-5-3-2-4-6-14/h2-8,11,15,19-22,24H,9-10,12-13H2,1H3
InChIKeySJYUYNABQPJWEJ-UHFFFAOYSA-N
XLogP2.40
TPSA96.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[(2-methoxy-5-nitrophenyl)methylamino]-5-phenylpyrrolidin-3-yl]ethanol 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 2-[4-[(2-methoxy-5-nitrophenyl)methylamino]-5-phenylpyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[4-[(2-methoxy-5-nitrophenyl)methylamino]-5-phenylpyrrolidin-3-yl]ethanol (CID 19974918) is 2-[4-[(2-methoxy-5-nitrophenyl)methylamino]-5-phenylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-methoxy-5-nitrophenyl)methylamino]-5-phenylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[4-[(2-methoxy-5-nitrophenyl)methylamino]-5-phenylpyrrolidin-3-yl]ethanol is COc1ccc([N+](=O)[O-])cc1CNC1C(CCO)CNC1c1ccccc1.
What is the InChIKey of 2-[4-[(2-methoxy-5-nitrophenyl)methylamino]-5-phenylpyrrolidin-3-yl]ethanol?
The InChIKey is SJYUYNABQPJWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-27-18-8-7-17(23(25)26)11-16(18)13-22-20-15(9-10-24)12-21-19(20)14-5-3-2-4-6-14/h2-8,11,15,19-22,24H,9-10,12-13H2,1H3.
What are the key properties of 2-[4-[(2-methoxy-5-nitrophenyl)methylamino]-5-phenylpyrrolidin-3-yl]ethanol?
2-[4-[(2-methoxy-5-nitrophenyl)methylamino]-5-phenylpyrrolidin-3-yl]ethanol has a molecular weight of 371.44 g/mol, XLogP of 2.40, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxy-5-nitrophenyl)methylamino]-5-phenylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 19974918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).