2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol

C13H21NO3 — CID 54440196

IUPAC2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol
SMILESCc1cccc(N(CCO)CCOCCO)c1
InChIInChI=1S/C13H21NO3/c1-12-3-2-4-13(11-12)14(5-7-15)6-9-17-10-8-16/h2-4,11,15-16H,5-10H2,1H3
InChIKeyWNOCCEHZGHKEAO-UHFFFAOYSA-N
MW239.31 g/mol
LogP0.80
Rot. Bonds8

About 2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol

2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol (PubChem CID 54440196) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol.

Molecular Properties

Compound Name2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol
PubChem CID54440196
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol
SMILESCc1cccc(N(CCO)CCOCCO)c1
InChIInChI=1S/C13H21NO3/c1-12-3-2-4-13(11-12)14(5-7-15)6-9-17-10-8-16/h2-4,11,15-16H,5-10H2,1H3
InChIKeyWNOCCEHZGHKEAO-UHFFFAOYSA-N
XLogP0.80
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 143917087
N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline
CID 124925556
dimethyl(phenyl)phosphane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 118588489
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline
CID 139697285
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
2-[3-methyl-N-(2-methylpropyl)anilino]ethanol
CID 91509745
2-[3-methyl-N-(2-sulfooxyethyl)anilino]ethyl hydrogen sulfate
CID 88528148
diethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium
CID 153492918
CID 138691667
CID 138691667
2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium
CID 148560037
N-(2-hydroxyethyl)-N-(3-methylphenyl)nitramide
CID 70276550

Frequently Asked Questions

What is the IUPAC name of 2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol?
The IUPAC name of 2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol (CID 54440196) is 2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol.
What is the SMILES notation for 2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol?
The canonical SMILES for 2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol is Cc1cccc(N(CCO)CCOCCO)c1.
What is the InChIKey of 2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol?
The InChIKey is WNOCCEHZGHKEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-12-3-2-4-13(11-12)14(5-7-15)6-9-17-10-8-16/h2-4,11,15-16H,5-10H2,1H3.
What are the key properties of 2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol?
2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol has a molecular weight of 239.31 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol is sourced from PubChem (CID 54440196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).