N-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine;oxalic acid

C17H26N2O5 — CID 23724229

IUPACN-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine;oxalic acid
SMILESCCOc1ccc(CNCCN2CCCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H24N2O.C2H2O4/c1-2-18-15-7-5-14(6-8-15)13-16-9-12-17-10-3-4-11-17;3-1(4)2(5)6/h5-8,16H,2-4,9-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyVFSYMZKCYLTLSD-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.43
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine;oxalic acid

N-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine;oxalic acid (PubChem CID 23724229) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine;oxalic acid.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine;oxalic acid
PubChem CID23724229
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine;oxalic acid
SMILESCCOc1ccc(CNCCN2CCCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H24N2O.C2H2O4/c1-2-18-15-7-5-14(6-8-15)13-16-9-12-17-10-3-4-11-17;3-1(4)2(5)6/h5-8,16H,2-4,9-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyVFSYMZKCYLTLSD-UHFFFAOYSA-N
XLogP1.43
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine;oxalic acid 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 N-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine;oxalic acid?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine;oxalic acid (CID 23724229) is N-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine;oxalic acid.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine;oxalic acid?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine;oxalic acid is CCOc1ccc(CNCCN2CCCC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine;oxalic acid?
The InChIKey is VFSYMZKCYLTLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.C2H2O4/c1-2-18-15-7-5-14(6-8-15)13-16-9-12-17-10-3-4-11-17;3-1(4)2(5)6/h5-8,16H,2-4,9-13H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine;oxalic acid?
N-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine;oxalic acid has a molecular weight of 338.40 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine;oxalic acid is sourced from PubChem (CID 23724229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).