4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol

C11H18N2O — CID 106954059

IUPAC4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol
SMILESCc1cc(NC(C)CN)c(C)cc1O
InChIInChI=1S/C11H18N2O/c1-7-5-11(14)8(2)4-10(7)13-9(3)6-12/h4-5,9,13-14H,6,12H2,1-3H3
InChIKeyRVYFKOCQNBVBOA-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.77
Rot. Bonds3

About 4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol

4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol (PubChem CID 106954059) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol.

Molecular Properties

Compound Name4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol
PubChem CID106954059
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol
SMILESCc1cc(NC(C)CN)c(C)cc1O
InChIInChI=1S/C11H18N2O/c1-7-5-11(14)8(2)4-10(7)13-9(3)6-12/h4-5,9,13-14H,6,12H2,1-3H3
InChIKeyRVYFKOCQNBVBOA-UHFFFAOYSA-N
XLogP1.77
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol?
The IUPAC name of 4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol (CID 106954059) is 4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol.
What is the SMILES notation for 4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol?
The canonical SMILES for 4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol is Cc1cc(NC(C)CN)c(C)cc1O.
What is the InChIKey of 4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol?
The InChIKey is RVYFKOCQNBVBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7-5-11(14)8(2)4-10(7)13-9(3)6-12/h4-5,9,13-14H,6,12H2,1-3H3.
What are the key properties of 4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol?
4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol has a molecular weight of 194.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol is sourced from PubChem (CID 106954059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).