N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine

C16H27NO4 — CID 104562502

IUPACN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOCCOCCOCCNC(C)c1ccc(OC)cc1
InChIInChI=1S/C16H27NO4/c1-14(15-4-6-16(19-3)7-5-15)17-8-9-20-12-13-21-11-10-18-2/h4-7,14,17H,8-13H2,1-3H3
InChIKeyDPGXGPLSNWFYTD-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.03
Rot. Bonds12

About N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 104562502) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID104562502
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOCCOCCOCCNC(C)c1ccc(OC)cc1
InChIInChI=1S/C16H27NO4/c1-14(15-4-6-16(19-3)7-5-15)17-8-9-20-12-13-21-11-10-18-2/h4-7,14,17H,8-13H2,1-3H3
InChIKeyDPGXGPLSNWFYTD-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

(1S)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81370691
(1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 81370490
(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 81357099
1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
CID 104561982
3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115704468
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206881
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 115712008
2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol
CID 43207599
(1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 103179242
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28720966
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 81370484
N-(2-methoxyethyl)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]acetamide
CID 81371226

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine (CID 104562502) is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine is COCCOCCOCCNC(C)c1ccc(OC)cc1.
What is the InChIKey of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is DPGXGPLSNWFYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-14(15-4-6-16(19-3)7-5-15)17-8-9-20-12-13-21-11-10-18-2/h4-7,14,17H,8-13H2,1-3H3.
What are the key properties of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine?
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine 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 N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 104562502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).