N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine

C16H27NO4 — CID 104560645

IUPACN-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCOCCOCCOC)c1
InChIInChI=1S/C16H27NO4/c1-3-17-14-15-5-4-6-16(13-15)21-12-11-20-10-9-19-8-7-18-2/h4-6,13,17H,3,7-12,14H2,1-2H3
InChIKeyYQUXMOPSLUGJGE-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.85
Rot. Bonds13

About N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine

N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine (PubChem CID 104560645) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
PubChem CID104560645
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC NameN-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCOCCOCCOC)c1
InChIInChI=1S/C16H27NO4/c1-3-17-14-15-5-4-6-16(13-15)21-12-11-20-10-9-19-8-7-18-2/h4-6,13,17H,3,7-12,14H2,1-2H3
InChIKeyYQUXMOPSLUGJGE-UHFFFAOYSA-N
XLogP1.85
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.85
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

N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103406632
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455428
1-[3-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103181050
methyl 2-[3-(ethylaminomethyl)phenoxy]acetate
CID 60882225
3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide
CID 62324546
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
CID 54803561

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine (CID 104560645) is N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine is CCNCc1cccc(OCCOCCOCCOC)c1.
What is the InChIKey of N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine?
The InChIKey is YQUXMOPSLUGJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-3-17-14-15-5-4-6-16(13-15)21-12-11-20-10-9-19-8-7-18-2/h4-6,13,17H,3,7-12,14H2,1-2H3.
What are the key properties of N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine?
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine has a molecular weight of 297.39 g/mol, XLogP of 1.85, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 104560645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).