2-[3-(2-hydroxyethylamino)-2-(methoxymethyl)anilino]ethanol

C12H20N2O3 — CID 91146715

IUPAC2-[3-(2-hydroxyethylamino)-2-(methoxymethyl)anilino]ethanol
SMILESCOCc1c(NCCO)cccc1NCCO
InChIInChI=1S/C12H20N2O3/c1-17-9-10-11(13-5-7-15)3-2-4-12(10)14-6-8-16/h2-4,13-16H,5-9H2,1H3
InChIKeyBEVUHVHYIMSAAP-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.64
Rot. Bonds8

About 2-[3-(2-hydroxyethylamino)-2-(methoxymethyl)anilino]ethanol

2-[3-(2-hydroxyethylamino)-2-(methoxymethyl)anilino]ethanol (PubChem CID 91146715) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethylamino)-2-(methoxymethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[3-(2-hydroxyethylamino)-2-(methoxymethyl)anilino]ethanol
PubChem CID91146715
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[3-(2-hydroxyethylamino)-2-(methoxymethyl)anilino]ethanol
SMILESCOCc1c(NCCO)cccc1NCCO
InChIInChI=1S/C12H20N2O3/c1-17-9-10-11(13-5-7-15)3-2-4-12(10)14-6-8-16/h2-4,13-16H,5-9H2,1H3
InChIKeyBEVUHVHYIMSAAP-UHFFFAOYSA-N
XLogP0.64
TPSA73.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dimethoxyanilino)ethanol
CID 174734615
N-[3-bromo-2-(methoxymethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine
CID 114525098
3-bromo-2-(methoxymethyl)-N-(3-methoxypropyl)aniline
CID 61166782
2-(3-chloro-2-methoxyanilino)ethanol
CID 130667587
N-[3-bromo-2-(methoxymethyl)phenyl]-N'-tert-butylethane-1,2-diamine
CID 107445429
3-(2-hydroxyethylamino)benzene-1,2-diol
CID 70502073
5-[2-(methoxymethyl)anilino]pentan-1-ol
CID 62229017
2-(2-hydroxyethylamino)-6-methylphenol
CID 68893139
3-bromo-2-(methoxymethyl)-N-pent-3-ynylaniline
CID 104806440
2-[3-(2-hydroxyethylamino)-4-methoxy-5-methylanilino]ethanol;2-[3-(2-hydroxyethylamino)-2-methylanilino]ethanol
CID 68517296
3-bromo-N-[2-(4-bromophenoxy)ethyl]-2-(methoxymethyl)aniline
CID 63491176
4-[3-bromo-2-(methoxymethyl)anilino]-2,2-dimethylbutanenitrile
CID 65249013

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethylamino)-2-(methoxymethyl)anilino]ethanol?
The IUPAC name of 2-[3-(2-hydroxyethylamino)-2-(methoxymethyl)anilino]ethanol (CID 91146715) is 2-[3-(2-hydroxyethylamino)-2-(methoxymethyl)anilino]ethanol.
What is the SMILES notation for 2-[3-(2-hydroxyethylamino)-2-(methoxymethyl)anilino]ethanol?
The canonical SMILES for 2-[3-(2-hydroxyethylamino)-2-(methoxymethyl)anilino]ethanol is COCc1c(NCCO)cccc1NCCO.
What is the InChIKey of 2-[3-(2-hydroxyethylamino)-2-(methoxymethyl)anilino]ethanol?
The InChIKey is BEVUHVHYIMSAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-17-9-10-11(13-5-7-15)3-2-4-12(10)14-6-8-16/h2-4,13-16H,5-9H2,1H3.
What are the key properties of 2-[3-(2-hydroxyethylamino)-2-(methoxymethyl)anilino]ethanol?
2-[3-(2-hydroxyethylamino)-2-(methoxymethyl)anilino]ethanol has a molecular weight of 240.30 g/mol, XLogP of 0.64, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethylamino)-2-(methoxymethyl)anilino]ethanol is sourced from PubChem (CID 91146715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).