2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine

C16H27NO4 — CID 103180506

IUPAC2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine
SMILESCNCC(OCCOCCCOC)c1cccc(OC)c1
InChIInChI=1S/C16H27NO4/c1-17-13-16(14-6-4-7-15(12-14)19-3)21-11-10-20-9-5-8-18-2/h4,6-7,12,16-17H,5,8-11,13H2,1-3H3
InChIKeyXCQBLXLFRQSZQL-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.03
Rot. Bonds12

About 2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine

2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine (PubChem CID 103180506) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine
PubChem CID103180506
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine
SMILESCNCC(OCCOCCCOC)c1cccc(OC)c1
InChIInChI=1S/C16H27NO4/c1-17-13-16(14-6-4-7-15(12-14)19-3)21-11-10-20-9-5-8-18-2/h4,6-7,12,16-17H,5,8-11,13H2,1-3H3
InChIKeyXCQBLXLFRQSZQL-UHFFFAOYSA-N
XLogP2.03
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine
CID 103405191
2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-phenylethanamine
CID 103405244
2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine
CID 55036389
1-[2-iodo-1-[3-(2-methoxyethoxy)propoxy]ethyl]-3-methoxybenzene
CID 103405052
2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82792850
N-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine
CID 63686740
2-(2-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine
CID 103180434
2-(4-bromophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
CID 62106281
N-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine
CID 62111220
N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine
CID 103180489
N-ethyl-2-(3-methoxyphenyl)-2-propoxyethanamine
CID 55036120
1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
CID 103402998

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine (CID 103180506) is 2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine is CNCC(OCCOCCCOC)c1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine?
The InChIKey is XCQBLXLFRQSZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-17-13-16(14-6-4-7-15(12-14)19-3)21-11-10-20-9-5-8-18-2/h4,6-7,12,16-17H,5,8-11,13H2,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine?
2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine has a molecular weight of 297.40 g/mol, XLogP of 2.03, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine is sourced from PubChem (CID 103180506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).