2-[4-[(N-(2-hydroxyethylamino)-2-methoxyanilino)methoxy]anilino]ethanol

C18H25N3O4 — CID 54552391

IUPAC2-[4-[(N-(2-hydroxyethylamino)-2-methoxyanilino)methoxy]anilino]ethanol
SMILESCOc1ccccc1N(COc1ccc(NCCO)cc1)NCCO
InChIInChI=1S/C18H25N3O4/c1-24-18-5-3-2-4-17(18)21(20-11-13-23)14-25-16-8-6-15(7-9-16)19-10-12-22/h2-9,19-20,22-23H,10-14H2,1H3
InChIKeyZKUPKUFSTVVDFP-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.44
Rot. Bonds11

About 2-[4-[(N-(2-hydroxyethylamino)-2-methoxyanilino)methoxy]anilino]ethanol

2-[4-[(N-(2-hydroxyethylamino)-2-methoxyanilino)methoxy]anilino]ethanol (PubChem CID 54552391) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[4-[(N-(2-hydroxyethylamino)-2-methoxyanilino)methoxy]anilino]ethanol.

Molecular Properties

Compound Name2-[4-[(N-(2-hydroxyethylamino)-2-methoxyanilino)methoxy]anilino]ethanol
PubChem CID54552391
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-[4-[(N-(2-hydroxyethylamino)-2-methoxyanilino)methoxy]anilino]ethanol
SMILESCOc1ccccc1N(COc1ccc(NCCO)cc1)NCCO
InChIInChI=1S/C18H25N3O4/c1-24-18-5-3-2-4-17(18)21(20-11-13-23)14-25-16-8-6-15(7-9-16)19-10-12-22/h2-9,19-20,22-23H,10-14H2,1H3
InChIKeyZKUPKUFSTVVDFP-UHFFFAOYSA-N
XLogP1.44
TPSA86.22 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline
CID 54799245
N'-(2-methoxyphenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 62553756
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
ethane;2-(4-methoxy-3-methylanilino)ethanol
CID 142353980
2-(4-benzylanilino)ethanol
CID 91561467
4-[4-(2-phenoxyethoxy)anilino]butan-1-ol
CID 54803419
2-(3-amino-4-methoxyanilino)ethanol;hydrochloride
CID 154637919
2-(3,4,5-trimethoxyanilino)ethanol
CID 28571961
2-(2,3-dimethoxyanilino)ethanol
CID 174734615
2-(3-amino-4-methoxyanilino)ethanol;benzene-1,3-diamine
CID 159575611
3-[4-(2-phenylethoxy)anilino]propan-1-ol
CID 143523886
4-[2-(4-methoxyanilino)ethoxy]phenol
CID 71735773

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(N-(2-hydroxyethylamino)-2-methoxyanilino)methoxy]anilino]ethanol?
The IUPAC name of 2-[4-[(N-(2-hydroxyethylamino)-2-methoxyanilino)methoxy]anilino]ethanol (CID 54552391) is 2-[4-[(N-(2-hydroxyethylamino)-2-methoxyanilino)methoxy]anilino]ethanol.
What is the SMILES notation for 2-[4-[(N-(2-hydroxyethylamino)-2-methoxyanilino)methoxy]anilino]ethanol?
The canonical SMILES for 2-[4-[(N-(2-hydroxyethylamino)-2-methoxyanilino)methoxy]anilino]ethanol is COc1ccccc1N(COc1ccc(NCCO)cc1)NCCO.
What is the InChIKey of 2-[4-[(N-(2-hydroxyethylamino)-2-methoxyanilino)methoxy]anilino]ethanol?
The InChIKey is ZKUPKUFSTVVDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-24-18-5-3-2-4-17(18)21(20-11-13-23)14-25-16-8-6-15(7-9-16)19-10-12-22/h2-9,19-20,22-23H,10-14H2,1H3.
What are the key properties of 2-[4-[(N-(2-hydroxyethylamino)-2-methoxyanilino)methoxy]anilino]ethanol?
2-[4-[(N-(2-hydroxyethylamino)-2-methoxyanilino)methoxy]anilino]ethanol has a molecular weight of 347.42 g/mol, XLogP of 1.44, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(N-(2-hydroxyethylamino)-2-methoxyanilino)methoxy]anilino]ethanol is sourced from PubChem (CID 54552391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).