1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine

C15H25NO3 — CID 103402998

IUPAC1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(OCCCOCCOC)c1
InChIInChI=1S/C15H25NO3/c1-13(16-2)14-6-4-7-15(12-14)19-9-5-8-18-11-10-17-3/h4,6-7,12-13,16H,5,8-11H2,1-3H3
InChIKeyJLDONEGLBANMEZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.40
Rot. Bonds10

About 1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine

1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine (PubChem CID 103402998) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
PubChem CID103402998
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(OCCCOCCOC)c1
InChIInChI=1S/C15H25NO3/c1-13(16-2)14-6-4-7-15(12-14)19-9-5-8-18-11-10-17-3/h4,6-7,12-13,16H,5,8-11H2,1-3H3
InChIKeyJLDONEGLBANMEZ-UHFFFAOYSA-N
XLogP2.40
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.40
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-(3-ethoxypropoxy)phenyl]-N-methylethanamine
CID 65176672
N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine
CID 62936434
1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 106988527
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
1-[3-[2-(3-methoxypropoxy)ethylsulfanyl]phenyl]-N-methylethanamine
CID 103184258
1-[2-[3-(2-methoxyethoxy)propoxy]-4-pyridinyl]-N-methylethanamine
CID 103402960
1-[3-[2-(2-methoxyethoxy)ethylsulfanyl]phenyl]-N-methylethanamine
CID 64663152
5-[3-[1-(methylamino)ethyl]phenoxy]pentanenitrile
CID 54965992
N-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine
CID 82353979
2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 79360997
1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103406632
1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103409891

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine (CID 103402998) is 1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine is CNC(C)c1cccc(OCCCOCCOC)c1.
What is the InChIKey of 1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine?
The InChIKey is JLDONEGLBANMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-13(16-2)14-6-4-7-15(12-14)19-9-5-8-18-11-10-17-3/h4,6-7,12-13,16H,5,8-11H2,1-3H3.
What are the key properties of 1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine?
1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine has a molecular weight of 267.37 g/mol, XLogP of 2.40, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 103402998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).