2-methyl-1-N-morpholin-4-ylbenzene-1,4-diamine

C11H17N3O — CID 83005598

IUPAC2-methyl-1-N-morpholin-4-ylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1NN1CCOCC1
InChIInChI=1S/C11H17N3O/c1-9-8-10(12)2-3-11(9)13-14-4-6-15-7-5-14/h2-3,8,13H,4-7,12H2,1H3
InChIKeyLCZQMGKAOQMRGZ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.24
Rot. Bonds2

About 2-methyl-1-N-morpholin-4-ylbenzene-1,4-diamine

2-methyl-1-N-morpholin-4-ylbenzene-1,4-diamine (PubChem CID 83005598) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-methyl-1-N-morpholin-4-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-1-N-morpholin-4-ylbenzene-1,4-diamine
PubChem CID83005598
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-methyl-1-N-morpholin-4-ylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1NN1CCOCC1
InChIInChI=1S/C11H17N3O/c1-9-8-10(12)2-3-11(9)13-14-4-6-15-7-5-14/h2-3,8,13H,4-7,12H2,1H3
InChIKeyLCZQMGKAOQMRGZ-UHFFFAOYSA-N
XLogP1.24
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(morpholin-4-ylamino)benzoic acid
CID 83023674
3-N-morpholin-4-yl-4-nitrobenzene-1,3-diamine
CID 91325508
3-methyl-4-morpholin-4-ylaniline
CID 10607787
2-methyl-1-N-(2-methyl-4,5-dihydroimidazol-1-yl)benzene-1,4-diamine
CID 70485899
2-N-morpholin-4-ylpyridine-2,5-diamine
CID 83005603
1-N-iodo-2-methylbenzene-1,4-diamine
CID 163574989
4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine
CID 55091459
4-amino-N-methyl-3-(morpholin-4-ylamino)benzenesulfonamide
CID 83003158
N-(4-amino-2-methylphenyl)-2-(3-methylmorpholin-4-yl)propanamide
CID 43541684
N-(4-amino-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 6969782
3-fluoro-4-(morpholin-4-ylamino)benzonitrile
CID 83016859
1-N-[3-(4-amino-2-methylanilino)-2,2-dimethylpropyl]-2-methylbenzene-1,4-diamine;tetrahydrochloride
CID 69433542

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-morpholin-4-ylbenzene-1,4-diamine?
The IUPAC name of 2-methyl-1-N-morpholin-4-ylbenzene-1,4-diamine (CID 83005598) is 2-methyl-1-N-morpholin-4-ylbenzene-1,4-diamine.
What is the SMILES notation for 2-methyl-1-N-morpholin-4-ylbenzene-1,4-diamine?
The canonical SMILES for 2-methyl-1-N-morpholin-4-ylbenzene-1,4-diamine is Cc1cc(N)ccc1NN1CCOCC1.
What is the InChIKey of 2-methyl-1-N-morpholin-4-ylbenzene-1,4-diamine?
The InChIKey is LCZQMGKAOQMRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-8-10(12)2-3-11(9)13-14-4-6-15-7-5-14/h2-3,8,13H,4-7,12H2,1H3.
What are the key properties of 2-methyl-1-N-morpholin-4-ylbenzene-1,4-diamine?
2-methyl-1-N-morpholin-4-ylbenzene-1,4-diamine has a molecular weight of 207.28 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-morpholin-4-ylbenzene-1,4-diamine is sourced from PubChem (CID 83005598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).