N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine

C15H25NO2 — CID 54935500

IUPACN-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
SMILESCCNC(CC)c1ccccc1OCCCOC
InChIInChI=1S/C15H25NO2/c1-4-14(16-5-2)13-9-6-7-10-15(13)18-12-8-11-17-3/h6-7,9-10,14,16H,4-5,8,11-12H2,1-3H3
InChIKeyOGAJXSLUXDDEPB-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.16
Rot. Bonds9

About N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine

N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine (PubChem CID 54935500) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
PubChem CID54935500
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
SMILESCCNC(CC)c1ccccc1OCCCOC
InChIInChI=1S/C15H25NO2/c1-4-14(16-5-2)13-9-6-7-10-15(13)18-12-8-11-17-3/h6-7,9-10,14,16H,4-5,8,11-12H2,1-3H3
InChIKeyOGAJXSLUXDDEPB-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660193
1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine
CID 63501142
N-ethyl-1-(2-hept-6-enoxyphenyl)propan-1-amine
CID 107006072
1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
CID 65176453
N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine
CID 104804539
methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate
CID 60881530
N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yloxyethanamine
CID 105180537
2-butan-2-ylsulfanyl-N-ethyl-1-[2-(2-methoxyethoxy)phenyl]ethanamine
CID 104660236
N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine
CID 105035305
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 105180487
N-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660475
N-ethyl-4-methoxy-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 65092523

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine (CID 54935500) is N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine is CCNC(CC)c1ccccc1OCCCOC.
What is the InChIKey of N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine?
The InChIKey is OGAJXSLUXDDEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-14(16-5-2)13-9-6-7-10-15(13)18-12-8-11-17-3/h6-7,9-10,14,16H,4-5,8,11-12H2,1-3H3.
What are the key properties of N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine?
N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine is sourced from PubChem (CID 54935500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).