2-[3-(methoxymethoxymethyl)phenyl]-2-phenylethanamine

C17H21NO2 — CID 59200438

IUPAC2-[3-(methoxymethoxymethyl)phenyl]-2-phenylethanamine
SMILESCOCOCc1cccc(C(CN)c2ccccc2)c1
InChIInChI=1S/C17H21NO2/c1-19-13-20-12-14-6-5-9-16(10-14)17(11-18)15-7-3-2-4-8-15/h2-10,17H,11-13,18H2,1H3
InChIKeyLFJVMFGMYYRAHS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.90
Rot. Bonds7

About 2-[3-(methoxymethoxymethyl)phenyl]-2-phenylethanamine

2-[3-(methoxymethoxymethyl)phenyl]-2-phenylethanamine (PubChem CID 59200438) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[3-(methoxymethoxymethyl)phenyl]-2-phenylethanamine.

Molecular Properties

Compound Name2-[3-(methoxymethoxymethyl)phenyl]-2-phenylethanamine
PubChem CID59200438
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[3-(methoxymethoxymethyl)phenyl]-2-phenylethanamine
SMILESCOCOCc1cccc(C(CN)c2ccccc2)c1
InChIInChI=1S/C17H21NO2/c1-19-13-20-12-14-6-5-9-16(10-14)17(11-18)15-7-3-2-4-8-15/h2-10,17H,11-13,18H2,1H3
InChIKeyLFJVMFGMYYRAHS-UHFFFAOYSA-N
XLogP2.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethoxymethyl)phenyl]-2-phenylethanamine?
The IUPAC name of 2-[3-(methoxymethoxymethyl)phenyl]-2-phenylethanamine (CID 59200438) is 2-[3-(methoxymethoxymethyl)phenyl]-2-phenylethanamine.
What is the SMILES notation for 2-[3-(methoxymethoxymethyl)phenyl]-2-phenylethanamine?
The canonical SMILES for 2-[3-(methoxymethoxymethyl)phenyl]-2-phenylethanamine is COCOCc1cccc(C(CN)c2ccccc2)c1.
What is the InChIKey of 2-[3-(methoxymethoxymethyl)phenyl]-2-phenylethanamine?
The InChIKey is LFJVMFGMYYRAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-19-13-20-12-14-6-5-9-16(10-14)17(11-18)15-7-3-2-4-8-15/h2-10,17H,11-13,18H2,1H3.
What are the key properties of 2-[3-(methoxymethoxymethyl)phenyl]-2-phenylethanamine?
2-[3-(methoxymethoxymethyl)phenyl]-2-phenylethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethoxymethyl)phenyl]-2-phenylethanamine is sourced from PubChem (CID 59200438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).