1-(4-methoxy-3-methylphenyl)propane-2,2-diamine

C11H18N2O — CID 166666114

IUPAC1-(4-methoxy-3-methylphenyl)propane-2,2-diamine
SMILESCOc1ccc(CC(C)(N)N)cc1C
InChIInChI=1S/C11H18N2O/c1-8-6-9(7-11(2,12)13)4-5-10(8)14-3/h4-6H,7,12-13H2,1-3H3
InChIKeySDNHXYQEBAYAJY-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.18
Rot. Bonds3

About 1-(4-methoxy-3-methylphenyl)propane-2,2-diamine

1-(4-methoxy-3-methylphenyl)propane-2,2-diamine (PubChem CID 166666114) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)propane-2,2-diamine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)propane-2,2-diamine
PubChem CID166666114
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(4-methoxy-3-methylphenyl)propane-2,2-diamine
SMILESCOc1ccc(CC(C)(N)N)cc1C
InChIInChI=1S/C11H18N2O/c1-8-6-9(7-11(2,12)13)4-5-10(8)14-3/h4-6H,7,12-13H2,1-3H3
InChIKeySDNHXYQEBAYAJY-UHFFFAOYSA-N
XLogP1.18
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine
CID 83698352
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115135992
1-N-[(4-methoxy-3-methylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200571
(4-methoxy-3-methylphenyl)methylphosphane
CID 89138390
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033
5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine
CID 65305287
2-(4-methoxy-3-methylphenyl)butan-2-amine
CID 82469033
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylpentan-2-amine
CID 115621623
ethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne
CID 142112207
(4-methoxy-3-methylphenyl)methanesulfonamide
CID 114999092
1-(3-fluoro-4-methoxyphenyl)-3-methoxy-2-methylpropan-2-amine
CID 62622774
N-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine
CID 115581213

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)propane-2,2-diamine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)propane-2,2-diamine (CID 166666114) is 1-(4-methoxy-3-methylphenyl)propane-2,2-diamine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)propane-2,2-diamine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)propane-2,2-diamine is COc1ccc(CC(C)(N)N)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)propane-2,2-diamine?
The InChIKey is SDNHXYQEBAYAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-6-9(7-11(2,12)13)4-5-10(8)14-3/h4-6H,7,12-13H2,1-3H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)propane-2,2-diamine?
1-(4-methoxy-3-methylphenyl)propane-2,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)propane-2,2-diamine is sourced from PubChem (CID 166666114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).