1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine

C12H20N2O — CID 115196260

IUPAC1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine
SMILESCOc1cc(C)c(NCC(C)N)cc1C
InChIInChI=1S/C12H20N2O/c1-8-6-12(15-4)9(2)5-11(8)14-7-10(3)13/h5-6,10,14H,7,13H2,1-4H3
InChIKeyFLEYAVSQNGFNRI-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.07
Rot. Bonds4

About 1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine

1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine (PubChem CID 115196260) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine
PubChem CID115196260
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine
SMILESCOc1cc(C)c(NCC(C)N)cc1C
InChIInChI=1S/C12H20N2O/c1-8-6-12(15-4)9(2)5-11(8)14-7-10(3)13/h5-6,10,14H,7,13H2,1-4H3
InChIKeyFLEYAVSQNGFNRI-UHFFFAOYSA-N
XLogP2.07
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2,3-triamine
CID 115119373
1-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine
CID 115196333
4-(4-methoxy-2,5-dimethylanilino)-3-methylbutanoic acid
CID 115219700
1-N-(2,5-dimethoxy-3,4-dimethylphenyl)propane-1,2-diamine
CID 115196355
N'-(2,5-dimethoxy-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252336
N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline
CID 43716743
1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine
CID 115196249
1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
CID 115196243
1-N-(5-chloro-4-methoxy-2-methylphenyl)butane-1,3-diamine
CID 115199013
2-(4-methoxy-2,5-dimethylanilino)acetic acid
CID 82492559
3-amino-4-(4,5-dimethoxy-2-methylanilino)butanoic acid
CID 115241480
N-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline
CID 115213315

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine?
The IUPAC name of 1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine (CID 115196260) is 1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine is COc1cc(C)c(NCC(C)N)cc1C.
What is the InChIKey of 1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine?
The InChIKey is FLEYAVSQNGFNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8-6-12(15-4)9(2)5-11(8)14-7-10(3)13/h5-6,10,14H,7,13H2,1-4H3.
What are the key properties of 1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine?
1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine has a molecular weight of 208.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine is sourced from PubChem (CID 115196260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).