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

C11H18N2O — CID 141404222

IUPAC4-tert-butyl-3-methoxybenzene-1,2-diamine
SMILESCOc1c(C(C)(C)C)ccc(N)c1N
InChIInChI=1S/C11H18N2O/c1-11(2,3)7-5-6-8(12)9(13)10(7)14-4/h5-6H,12-13H2,1-4H3
InChIKeyQQJNAXAFADLRAT-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.16
Rot. Bonds1

About 4-tert-butyl-3-methoxybenzene-1,2-diamine

4-tert-butyl-3-methoxybenzene-1,2-diamine (PubChem CID 141404222) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-tert-butyl-3-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-tert-butyl-3-methoxybenzene-1,2-diamine
PubChem CID141404222
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-tert-butyl-3-methoxybenzene-1,2-diamine
SMILESCOc1c(C(C)(C)C)ccc(N)c1N
InChIInChI=1S/C11H18N2O/c1-11(2,3)7-5-6-8(12)9(13)10(7)14-4/h5-6H,12-13H2,1-4H3
InChIKeyQQJNAXAFADLRAT-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 4-tert-butyl-3-methoxybenzene-1,2-diamine?
The IUPAC name of 4-tert-butyl-3-methoxybenzene-1,2-diamine (CID 141404222) is 4-tert-butyl-3-methoxybenzene-1,2-diamine.
What is the SMILES notation for 4-tert-butyl-3-methoxybenzene-1,2-diamine?
The canonical SMILES for 4-tert-butyl-3-methoxybenzene-1,2-diamine is COc1c(C(C)(C)C)ccc(N)c1N.
What is the InChIKey of 4-tert-butyl-3-methoxybenzene-1,2-diamine?
The InChIKey is QQJNAXAFADLRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)7-5-6-8(12)9(13)10(7)14-4/h5-6H,12-13H2,1-4H3.
What are the key properties of 4-tert-butyl-3-methoxybenzene-1,2-diamine?
4-tert-butyl-3-methoxybenzene-1,2-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 4-tert-butyl-3-methoxybenzene-1,2-diamine is sourced from PubChem (CID 141404222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).