3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine

C12H19N3O2 — CID 91269103

IUPAC3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
SMILESNc1cccc(OCCN2CCOCC2)c1N
InChIInChI=1S/C12H19N3O2/c13-10-2-1-3-11(12(10)14)17-9-6-15-4-7-16-8-5-15/h1-3H,4-9,13-14H2
InChIKeyGJAJZMAVTIPOGD-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.56
Rot. Bonds4

About 3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine

3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine (PubChem CID 91269103) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
PubChem CID91269103
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
SMILESNc1cccc(OCCN2CCOCC2)c1N
InChIInChI=1S/C12H19N3O2/c13-10-2-1-3-11(12(10)14)17-9-6-15-4-7-16-8-5-15/h1-3H,4-9,13-14H2
InChIKeyGJAJZMAVTIPOGD-UHFFFAOYSA-N
XLogP0.56
TPSA73.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-(2-morpholin-4-ylethoxy)aniline
CID 113458214
4-[2-(2,3-dichlorophenoxy)ethyl]morpholine
CID 869488
2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile
CID 174668290
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
(1S)-1-[2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 78936484
N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline
CID 142799192
N,N-dimethyl-2-(2-morpholin-4-ylethoxy)aniline
CID 147491623
2-[2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 107713272
5-(2-morpholin-4-ylethoxy)-2H-chromen-8-amine
CID 44596930
7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine
CID 67987182
2-(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 140755433

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine?
The IUPAC name of 3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine (CID 91269103) is 3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine.
What is the SMILES notation for 3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine?
The canonical SMILES for 3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine is Nc1cccc(OCCN2CCOCC2)c1N.
What is the InChIKey of 3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine?
The InChIKey is GJAJZMAVTIPOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-10-2-1-3-11(12(10)14)17-9-6-15-4-7-16-8-5-15/h1-3H,4-9,13-14H2.
What are the key properties of 3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine?
3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine has a molecular weight of 237.30 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine is sourced from PubChem (CID 91269103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).