5-tert-butyl-2-methoxybenzene-1,3-diamine

C11H18N2O — CID 4177235

IUPAC5-tert-butyl-2-methoxybenzene-1,3-diamine
SMILESCOc1c(N)cc(C(C)(C)C)cc1N
InChIInChI=1S/C11H18N2O/c1-11(2,3)7-5-8(12)10(14-4)9(13)6-7/h5-6H,12-13H2,1-4H3
InChIKeySDOPSILBEXNRPI-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.16
Rot. Bonds1

About 5-tert-butyl-2-methoxybenzene-1,3-diamine

5-tert-butyl-2-methoxybenzene-1,3-diamine (PubChem CID 4177235) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-tert-butyl-2-methoxybenzene-1,3-diamine.

Molecular Properties

Compound Name5-tert-butyl-2-methoxybenzene-1,3-diamine
PubChem CID4177235
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-tert-butyl-2-methoxybenzene-1,3-diamine
SMILESCOc1c(N)cc(C(C)(C)C)cc1N
InChIInChI=1S/C11H18N2O/c1-11(2,3)7-5-8(12)10(14-4)9(13)6-7/h5-6H,12-13H2,1-4H3
InChIKeySDOPSILBEXNRPI-UHFFFAOYSA-N
XLogP2.16
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methoxybenzene-1,3-diamine?
The IUPAC name of 5-tert-butyl-2-methoxybenzene-1,3-diamine (CID 4177235) is 5-tert-butyl-2-methoxybenzene-1,3-diamine.
What is the SMILES notation for 5-tert-butyl-2-methoxybenzene-1,3-diamine?
The canonical SMILES for 5-tert-butyl-2-methoxybenzene-1,3-diamine is COc1c(N)cc(C(C)(C)C)cc1N.
What is the InChIKey of 5-tert-butyl-2-methoxybenzene-1,3-diamine?
The InChIKey is SDOPSILBEXNRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)7-5-8(12)10(14-4)9(13)6-7/h5-6H,12-13H2,1-4H3.
What are the key properties of 5-tert-butyl-2-methoxybenzene-1,3-diamine?
5-tert-butyl-2-methoxybenzene-1,3-diamine has a molecular weight of 194.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methoxybenzene-1,3-diamine is sourced from PubChem (CID 4177235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).