N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline

C18H31NO5 — CID 156571603

IUPACN-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline
SMILESCCN(CCOCCOCCOCCOC)c1cccc(OC)c1
InChIInChI=1S/C18H31NO5/c1-4-19(17-6-5-7-18(16-17)21-3)8-9-22-12-13-24-15-14-23-11-10-20-2/h5-7,16H,4,8-15H2,1-3H3
InChIKeyZEUDGKFPBZOWDQ-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.22
Rot. Bonds15

About N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline

N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline (PubChem CID 156571603) has the molecular formula C18H31NO5 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline
PubChem CID156571603
Molecular FormulaC18H31NO5
Molecular Weight341.45 g/mol
Exact Mass341.22
IUPAC NameN-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline
SMILESCCN(CCOCCOCCOCCOC)c1cccc(OC)c1
InChIInChI=1S/C18H31NO5/c1-4-19(17-6-5-7-18(16-17)21-3)8-9-22-12-13-24-15-14-23-11-10-20-2/h5-7,16H,4,8-15H2,1-3H3
InChIKeyZEUDGKFPBZOWDQ-UHFFFAOYSA-N
XLogP2.22
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline
CID 156565420
3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)aniline
CID 166462130
3-(N-ethyl-3-methoxyanilino)propanenitrile
CID 53425340
3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine
CID 103410198
3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol
CID 59211296
N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline
CID 124925556
2-(N-ethyl-3-methoxyanilino)ethyl (2-methylphenyl) carbonate
CID 54399203
N-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline
CID 54550055
N,N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]aniline
CID 169196905
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 61444424
N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
CID 142915240
3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 102813670

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline?
The IUPAC name of N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline (CID 156571603) is N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline.
What is the SMILES notation for N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline?
The canonical SMILES for N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline is CCN(CCOCCOCCOCCOC)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline?
The InChIKey is ZEUDGKFPBZOWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO5/c1-4-19(17-6-5-7-18(16-17)21-3)8-9-22-12-13-24-15-14-23-11-10-20-2/h5-7,16H,4,8-15H2,1-3H3.
What are the key properties of N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline?
N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline has a molecular weight of 341.45 g/mol, XLogP of 2.22, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline is sourced from PubChem (CID 156571603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).