2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-5-methylanilino]ethoxy]ethanol;2-methoxy-5-methylaniline

C24H38N2O6 — CID 161365967

IUPAC2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-5-methylanilino]ethoxy]ethanol;2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1N.COc1ccc(C)cc1N(CCOCCO)CCOCCO
InChIInChI=1S/C16H27NO5.C8H11NO/c1-14-3-4-16(20-2)15(13-14)17(5-9-21-11-7-18)6-10-22-12-8-19;1-6-3-4-8(10-2)7(9)5-6/h3-4,13,18-19H,5-12H2,1-2H3;3-5H,9H2,1-2H3
InChIKeyVPUTWNAZGOPHFR-UHFFFAOYSA-N
MW450.58 g/mol
LogP2.41
Rot. Bonds13

About 2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-5-methylanilino]ethoxy]ethanol;2-methoxy-5-methylaniline

2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-5-methylanilino]ethoxy]ethanol;2-methoxy-5-methylaniline (PubChem CID 161365967) has the molecular formula C24H38N2O6 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-5-methylanilino]ethoxy]ethanol;2-methoxy-5-methylaniline.

Molecular Properties

Compound Name2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-5-methylanilino]ethoxy]ethanol;2-methoxy-5-methylaniline
PubChem CID161365967
Molecular FormulaC24H38N2O6
Molecular Weight450.58 g/mol
Exact Mass450.27
IUPAC Name2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-5-methylanilino]ethoxy]ethanol;2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1N.COc1ccc(C)cc1N(CCOCCO)CCOCCO
InChIInChI=1S/C16H27NO5.C8H11NO/c1-14-3-4-16(20-2)15(13-14)17(5-9-21-11-7-18)6-10-22-12-8-19;1-6-3-4-8(10-2)7(9)5-6/h3-4,13,18-19H,5-12H2,1-2H3;3-5H,9H2,1-2H3
InChIKeyVPUTWNAZGOPHFR-UHFFFAOYSA-N
XLogP2.41
TPSA106.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tris(2-hydroxyethyl)-[2-[2-[2-methoxy-5-methyl-N-[2-[2-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]ethoxy]ethyl]anilino]ethoxy]ethyl]azanium
CID 140580932
2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate
CID 57325233
2-[N-(2-hydroxyethyl)-2-methoxy-4-methylanilino]ethanol
CID 163824438
3-[N-(2-cyanoethyl)-2-methoxy-5-methylanilino]propanenitrile
CID 21455630
2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol
CID 54440196
2-[N-(hydroxymethyl)-2-methoxy-5-methylanilino]acetaldehyde
CID 142942704
3-(2-amino-4-methylphenoxy)propan-1-ol
CID 43349600
2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid
CID 94690899
2-[2-(2-amino-N-ethyl-4-iodoanilino)ethoxy]ethanol
CID 114263633
5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline
CID 39387000
2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol
CID 115133221
2-[bis(2-ethoxyethyl)amino]-4-methylbenzoic acid
CID 82939762

Frequently Asked Questions

What is the IUPAC name of 2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-5-methylanilino]ethoxy]ethanol;2-methoxy-5-methylaniline?
The IUPAC name of 2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-5-methylanilino]ethoxy]ethanol;2-methoxy-5-methylaniline (CID 161365967) is 2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-5-methylanilino]ethoxy]ethanol;2-methoxy-5-methylaniline.
What is the SMILES notation for 2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-5-methylanilino]ethoxy]ethanol;2-methoxy-5-methylaniline?
The canonical SMILES for 2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-5-methylanilino]ethoxy]ethanol;2-methoxy-5-methylaniline is COc1ccc(C)cc1N.COc1ccc(C)cc1N(CCOCCO)CCOCCO.
What is the InChIKey of 2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-5-methylanilino]ethoxy]ethanol;2-methoxy-5-methylaniline?
The InChIKey is VPUTWNAZGOPHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO5.C8H11NO/c1-14-3-4-16(20-2)15(13-14)17(5-9-21-11-7-18)6-10-22-12-8-19;1-6-3-4-8(10-2)7(9)5-6/h3-4,13,18-19H,5-12H2,1-2H3;3-5H,9H2,1-2H3.
What are the key properties of 2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-5-methylanilino]ethoxy]ethanol;2-methoxy-5-methylaniline?
2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-5-methylanilino]ethoxy]ethanol;2-methoxy-5-methylaniline has a molecular weight of 450.58 g/mol, XLogP of 2.41, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-5-methylanilino]ethoxy]ethanol;2-methoxy-5-methylaniline is sourced from PubChem (CID 161365967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).