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

C17H29NO5 — CID 156565420

IUPAC3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline
SMILESCOCCOCCN(CCOCCOC)c1cccc(OC)c1
InChIInChI=1S/C17H29NO5/c1-19-11-13-22-9-7-18(8-10-23-14-12-20-2)16-5-4-6-17(15-16)21-3/h4-6,15H,7-14H2,1-3H3
InChIKeyRLDLWIPCQFHDII-UHFFFAOYSA-N
MW327.42 g/mol
LogP1.83
Rot. Bonds14

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

3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline (PubChem CID 156565420) has the molecular formula C17H29NO5 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline.

Molecular Properties

Compound Name3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline
PubChem CID156565420
Molecular FormulaC17H29NO5
Molecular Weight327.42 g/mol
Exact Mass327.20
IUPAC Name3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline
SMILESCOCCOCCN(CCOCCOC)c1cccc(OC)c1
InChIInChI=1S/C17H29NO5/c1-19-11-13-22-9-7-18(8-10-23-14-12-20-2)16-5-4-6-17(15-16)21-3/h4-6,15H,7-14H2,1-3H3
InChIKeyRLDLWIPCQFHDII-UHFFFAOYSA-N
XLogP1.83
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 51.83
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-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)aniline
CID 166462130
N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline
CID 156571603
N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline
CID 124925556
3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol
CID 59211296
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-(2-cyanoethyl)-3-methoxyanilino]propanenitrile
CID 4243106
N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline
CID 79479150
N-butyl-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 164933283
N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine
CID 104561042
3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409360
3-bromo-N,N-bis(2-methoxyethyl)aniline
CID 146003902
3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine
CID 43587927

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline?
The IUPAC name of 3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline (CID 156565420) is 3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline.
What is the SMILES notation for 3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline?
The canonical SMILES for 3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline is COCCOCCN(CCOCCOC)c1cccc(OC)c1.
What is the InChIKey of 3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline?
The InChIKey is RLDLWIPCQFHDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO5/c1-19-11-13-22-9-7-18(8-10-23-14-12-20-2)16-5-4-6-17(15-16)21-3/h4-6,15H,7-14H2,1-3H3.
What are the key properties of 3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline?
3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline has a molecular weight of 327.42 g/mol, XLogP of 1.83, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline is sourced from PubChem (CID 156565420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).