N-[3-(3-ethoxyphenoxy)propyl]-3-methoxypropan-1-amine

C15H25NO3 — CID 2299290

IUPACN-[3-(3-ethoxyphenoxy)propyl]-3-methoxypropan-1-amine
SMILESCCOc1cccc(OCCCNCCCOC)c1
InChIInChI=1S/C15H25NO3/c1-3-18-14-7-4-8-15(13-14)19-12-6-10-16-9-5-11-17-2/h4,7-8,13,16H,3,5-6,9-12H2,1-2H3
InChIKeyQANCKZXMJXPYOF-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.48
Rot. Bonds11

About N-[3-(3-ethoxyphenoxy)propyl]-3-methoxypropan-1-amine

N-[3-(3-ethoxyphenoxy)propyl]-3-methoxypropan-1-amine (PubChem CID 2299290) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[3-(3-ethoxyphenoxy)propyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[3-(3-ethoxyphenoxy)propyl]-3-methoxypropan-1-amine
PubChem CID2299290
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[3-(3-ethoxyphenoxy)propyl]-3-methoxypropan-1-amine
SMILESCCOc1cccc(OCCCNCCCOC)c1
InChIInChI=1S/C15H25NO3/c1-3-18-14-7-4-8-15(13-14)19-12-6-10-16-9-5-11-17-2/h4,7-8,13,16H,3,5-6,9-12H2,1-2H3
InChIKeyQANCKZXMJXPYOF-UHFFFAOYSA-N
XLogP2.48
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.48
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethoxyphenoxy)propyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[3-(3-ethoxyphenoxy)propyl]-3-methoxypropan-1-amine (CID 2299290) is N-[3-(3-ethoxyphenoxy)propyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[3-(3-ethoxyphenoxy)propyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[3-(3-ethoxyphenoxy)propyl]-3-methoxypropan-1-amine is CCOc1cccc(OCCCNCCCOC)c1.
What is the InChIKey of N-[3-(3-ethoxyphenoxy)propyl]-3-methoxypropan-1-amine?
The InChIKey is QANCKZXMJXPYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-18-14-7-4-8-15(13-14)19-12-6-10-16-9-5-11-17-2/h4,7-8,13,16H,3,5-6,9-12H2,1-2H3.
What are the key properties of N-[3-(3-ethoxyphenoxy)propyl]-3-methoxypropan-1-amine?
N-[3-(3-ethoxyphenoxy)propyl]-3-methoxypropan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.48, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethoxyphenoxy)propyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 2299290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).