2-[2-(4-amino-3-methylanilino)ethylamino]ethanol

C11H19N3O — CID 23104585

IUPAC2-[2-(4-amino-3-methylanilino)ethylamino]ethanol
SMILESCc1cc(NCCNCCO)ccc1N
InChIInChI=1S/C11H19N3O/c1-9-8-10(2-3-11(9)12)14-5-4-13-6-7-15/h2-3,8,13-15H,4-7,12H2,1H3
InChIKeyWPKTVIOWZQEXIX-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.57
Rot. Bonds6

About 2-[2-(4-amino-3-methylanilino)ethylamino]ethanol

2-[2-(4-amino-3-methylanilino)ethylamino]ethanol (PubChem CID 23104585) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[2-(4-amino-3-methylanilino)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(4-amino-3-methylanilino)ethylamino]ethanol
PubChem CID23104585
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[2-(4-amino-3-methylanilino)ethylamino]ethanol
SMILESCc1cc(NCCNCCO)ccc1N
InChIInChI=1S/C11H19N3O/c1-9-8-10(2-3-11(9)12)14-5-4-13-6-7-15/h2-3,8,13-15H,4-7,12H2,1H3
InChIKeyWPKTVIOWZQEXIX-UHFFFAOYSA-N
XLogP0.57
TPSA70.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

4-N-[2-[2-(4-amino-3-methylanilino)ethylamino]ethyl]-2-methylbenzene-1,4-diamine
CID 69450838
4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253
4-(4-amino-3-methylanilino)-3,3-dimethylbutan-1-ol
CID 106140683
2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine
CID 163790181
2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine
CID 23104838
2-(4-amino-3-methylanilino)ethyl carbamate
CID 83201975
2-(4-amino-3-chloroanilino)ethanol
CID 54315994
2-methyl-4-N-(4-methylpentyl)benzene-1,4-diamine
CID 63004629
5-(4-amino-3-methylanilino)-4,4-dimethylpentan-1-ol
CID 106141231
2-methyl-4-N-(3-methylpentyl)benzene-1,4-diamine
CID 57089963
2-[3-(3-methylanilino)propylamino]ethanol
CID 142203244
5-(2-hydroxyethylamino)-2-methylphenol;hydrochloride
CID 172550087

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-3-methylanilino)ethylamino]ethanol?
The IUPAC name of 2-[2-(4-amino-3-methylanilino)ethylamino]ethanol (CID 23104585) is 2-[2-(4-amino-3-methylanilino)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(4-amino-3-methylanilino)ethylamino]ethanol?
The canonical SMILES for 2-[2-(4-amino-3-methylanilino)ethylamino]ethanol is Cc1cc(NCCNCCO)ccc1N.
What is the InChIKey of 2-[2-(4-amino-3-methylanilino)ethylamino]ethanol?
The InChIKey is WPKTVIOWZQEXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-8-10(2-3-11(9)12)14-5-4-13-6-7-15/h2-3,8,13-15H,4-7,12H2,1H3.
What are the key properties of 2-[2-(4-amino-3-methylanilino)ethylamino]ethanol?
2-[2-(4-amino-3-methylanilino)ethylamino]ethanol has a molecular weight of 209.29 g/mol, XLogP of 0.57, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-amino-3-methylanilino)ethylamino]ethanol is sourced from PubChem (CID 23104585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).