1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine

C14H23NO3 — CID 55018409

IUPAC1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine
SMILESCCOCCOC(c1cccc(OC)c1)C(C)N
InChIInChI=1S/C14H23NO3/c1-4-17-8-9-18-14(11(2)15)12-6-5-7-13(10-12)16-3/h5-7,10-11,14H,4,8-9,15H2,1-3H3
InChIKeyOYWLZBINBZPISE-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.14
Rot. Bonds8

About 1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine

1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine (PubChem CID 55018409) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine
PubChem CID55018409
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine
SMILESCCOCCOC(c1cccc(OC)c1)C(C)N
InChIInChI=1S/C14H23NO3/c1-4-17-8-9-18-14(11(2)15)12-6-5-7-13(10-12)16-3/h5-7,10-11,14H,4,8-9,15H2,1-3H3
InChIKeyOYWLZBINBZPISE-UHFFFAOYSA-N
XLogP2.14
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55018121
1-(3-methoxyphenyl)-1-(2-methylpropoxy)propan-2-amine
CID 55017784
1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine
CID 104560177
1-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine
CID 66233118
1-N-(2-ethoxyethyl)-1-(3-methoxyphenyl)-1-N-methylbutane-1,2-diamine
CID 81053839
1-(3-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 55018073
1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine
CID 55018410
2,2-diethoxy-1-(3-methoxyphenyl)ethanamine
CID 79495192
3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43196156
1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine
CID 55020762
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine (CID 55018409) is 1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine is CCOCCOC(c1cccc(OC)c1)C(C)N.
What is the InChIKey of 1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine?
The InChIKey is OYWLZBINBZPISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-17-8-9-18-14(11(2)15)12-6-5-7-13(10-12)16-3/h5-7,10-11,14H,4,8-9,15H2,1-3H3.
What are the key properties of 1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine?
1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine has a molecular weight of 253.34 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 55018409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).