4-methylbenzene-1,2-diamine;morpholine

C11H19N3O — CID 174603217

IUPAC4-methylbenzene-1,2-diamine;morpholine
SMILESC1COCCN1.Cc1ccc(N)c(N)c1
InChIInChI=1S/C7H10N2.C4H9NO/c1-5-2-3-6(8)7(9)4-5;1-3-6-4-2-5-1/h2-4H,8-9H2,1H3;5H,1-4H2
InChIKeyIIVLGRDNUQLYCL-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.77
Rot. Bonds

About 4-methylbenzene-1,2-diamine;morpholine

4-methylbenzene-1,2-diamine;morpholine (PubChem CID 174603217) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-methylbenzene-1,2-diamine;morpholine.

Molecular Properties

Compound Name4-methylbenzene-1,2-diamine;morpholine
PubChem CID174603217
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-methylbenzene-1,2-diamine;morpholine
SMILESC1COCCN1.Cc1ccc(N)c(N)c1
InChIInChI=1S/C7H10N2.C4H9NO/c1-5-2-3-6(8)7(9)4-5;1-3-6-4-2-5-1/h2-4H,8-9H2,1H3;5H,1-4H2
InChIKeyIIVLGRDNUQLYCL-UHFFFAOYSA-N
XLogP0.77
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Amino-4-(trifluoromethyl)phenyl)morpholine
CID 136624
4-(Morpholinomethyl)aniline
CID 776851
4-Morpholinobenzylamine
CID 2776458
N-(4-methylphenyl)morpholine-4-sulfonamide
CID 2979005
(3-Morpholinophenyl)methylamine
CID 2795550
(R)-1-(3-Morpholin-4-YL-phenyl)-ethylamine
CID 42551788
(S)-1-(3-morpholinophenyl)ethanamine
CID 42551790
3-(Morpholin-4-ylmethyl)aniline
CID 1096406
1-(4-(Morpholin-4-yl)phenyl)ethan-1-amine
CID 4912810
Methyl(((4-(morpholin-4-yl)phenyl)methyl))amine
CID 7060570
4-[1-(Morpholin-4-yl)ethyl]aniline
CID 50987527
(1R)-2-methyl-1-(3-morpholin-4-ylphenyl)propan-1-amine
CID 44580480

Frequently Asked Questions

What is the IUPAC name of 4-methylbenzene-1,2-diamine;morpholine?
The IUPAC name of 4-methylbenzene-1,2-diamine;morpholine (CID 174603217) is 4-methylbenzene-1,2-diamine;morpholine.
What is the SMILES notation for 4-methylbenzene-1,2-diamine;morpholine?
The canonical SMILES for 4-methylbenzene-1,2-diamine;morpholine is C1COCCN1.Cc1ccc(N)c(N)c1.
What is the InChIKey of 4-methylbenzene-1,2-diamine;morpholine?
The InChIKey is IIVLGRDNUQLYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C4H9NO/c1-5-2-3-6(8)7(9)4-5;1-3-6-4-2-5-1/h2-4H,8-9H2,1H3;5H,1-4H2.
What are the key properties of 4-methylbenzene-1,2-diamine;morpholine?
4-methylbenzene-1,2-diamine;morpholine has a molecular weight of 209.29 g/mol, XLogP of 0.77, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzene-1,2-diamine;morpholine is sourced from PubChem (CID 174603217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).