4-amino-2-(3-methylbutylamino)phenol

C11H18N2O — CID 130450908

IUPAC4-amino-2-(3-methylbutylamino)phenol
SMILESCC(C)CCNc1cc(N)ccc1O
InChIInChI=1S/C11H18N2O/c1-8(2)5-6-13-10-7-9(12)3-4-11(10)14/h3-4,7-8,13-14H,5-6,12H2,1-2H3
InChIKeyFBAGFGBZSLHOEU-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.43
Rot. Bonds4

About 4-amino-2-(3-methylbutylamino)phenol

4-amino-2-(3-methylbutylamino)phenol (PubChem CID 130450908) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-amino-2-(3-methylbutylamino)phenol.

Molecular Properties

Compound Name4-amino-2-(3-methylbutylamino)phenol
PubChem CID130450908
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-amino-2-(3-methylbutylamino)phenol
SMILESCC(C)CCNc1cc(N)ccc1O
InChIInChI=1S/C11H18N2O/c1-8(2)5-6-13-10-7-9(12)3-4-11(10)14/h3-4,7-8,13-14H,5-6,12H2,1-2H3
InChIKeyFBAGFGBZSLHOEU-UHFFFAOYSA-N
XLogP2.43
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-N-(3-methylbutyl)benzene-1,3-diamine
CID 62590495
5-amino-2-(3-methylbutylamino)benzamide
CID 61306874
4-(4-amino-2-fluoroanilino)butan-2-ol
CID 64928841
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 18334758
5-amino-2-(7-methyloctylamino)benzenesulfonamide
CID 107814721
3-amino-4-(3-methylbutylamino)benzamide
CID 43448346
4-amino-2-(2-methylpropyl)phenol
CID 56609860
5-amino-2-(7-methyloctylamino)benzoic acid
CID 107817773
2-(difluoromethyl)-1-N-(5-methylhexyl)benzene-1,4-diamine
CID 115324658
1-(4-amino-2-chlorophenyl)-3-(3-methylbutyl)urea
CID 127574183
2,4-diamino-N-(3-methylbutyl)benzamide
CID 61092536

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-methylbutylamino)phenol?
The IUPAC name of 4-amino-2-(3-methylbutylamino)phenol (CID 130450908) is 4-amino-2-(3-methylbutylamino)phenol.
What is the SMILES notation for 4-amino-2-(3-methylbutylamino)phenol?
The canonical SMILES for 4-amino-2-(3-methylbutylamino)phenol is CC(C)CCNc1cc(N)ccc1O.
What is the InChIKey of 4-amino-2-(3-methylbutylamino)phenol?
The InChIKey is FBAGFGBZSLHOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)5-6-13-10-7-9(12)3-4-11(10)14/h3-4,7-8,13-14H,5-6,12H2,1-2H3.
What are the key properties of 4-amino-2-(3-methylbutylamino)phenol?
4-amino-2-(3-methylbutylamino)phenol has a molecular weight of 194.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-methylbutylamino)phenol is sourced from PubChem (CID 130450908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).