2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C17H29NO5 — CID 101064678

IUPAC2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCN(CCOCCOCCOCCOCCO)c1ccccc1
InChIInChI=1S/C17H29NO5/c1-18(17-5-3-2-4-6-17)7-9-20-11-13-22-15-16-23-14-12-21-10-8-19/h2-6,19H,7-16H2,1H3
InChIKeyIFJSVVKWBSVQSM-UHFFFAOYSA-N
MW327.42 g/mol
LogP1.18
Rot. Bonds15

About 2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 101064678) has the molecular formula C17H29NO5 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID101064678
Molecular FormulaC17H29NO5
Molecular Weight327.42 g/mol
Exact Mass327.20
IUPAC Name2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCN(CCOCCOCCOCCOCCO)c1ccccc1
InChIInChI=1S/C17H29NO5/c1-18(17-5-3-2-4-6-17)7-9-20-11-13-22-15-16-23-14-12-21-10-8-19/h2-6,19H,7-16H2,1H3
InChIKeyIFJSVVKWBSVQSM-UHFFFAOYSA-N
XLogP1.18
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol
CID 122208894
2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol
CID 114243255
2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol
CID 111439695
2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid
CID 61070339
4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile
CID 101392937
2-(2-hydroxyethoxy)ethanol;toluene
CID 157148794
anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159647110
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154730088
2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol
CID 114242987
2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid
CID 114243031
4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid
CID 176755063

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 101064678) is 2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol is CN(CCOCCOCCOCCOCCO)c1ccccc1.
What is the InChIKey of 2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is IFJSVVKWBSVQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO5/c1-18(17-5-3-2-4-6-17)7-9-20-11-13-22-15-16-23-14-12-21-10-8-19/h2-6,19H,7-16H2,1H3.
What are the key properties of 2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 327.42 g/mol, XLogP of 1.18, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 101064678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).