2-butyl-4-(methylamino)phenol

C11H17NO — CID 154275387

IUPAC2-butyl-4-(methylamino)phenol
SMILESCCCCc1cc(NC)ccc1O
InChIInChI=1S/C11H17NO/c1-3-4-5-9-8-10(12-2)6-7-11(9)13/h6-8,12-13H,3-5H2,1-2H3
InChIKeyPIWBXPAJASNOJA-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.78
Rot. Bonds4

About 2-butyl-4-(methylamino)phenol

2-butyl-4-(methylamino)phenol (PubChem CID 154275387) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-butyl-4-(methylamino)phenol.

Molecular Properties

Compound Name2-butyl-4-(methylamino)phenol
PubChem CID154275387
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-butyl-4-(methylamino)phenol
SMILESCCCCc1cc(NC)ccc1O
InChIInChI=1S/C11H17NO/c1-3-4-5-9-8-10(12-2)6-7-11(9)13/h6-8,12-13H,3-5H2,1-2H3
InChIKeyPIWBXPAJASNOJA-UHFFFAOYSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol
CID 121386327
2-(hydroxymethyl)-4-(methylamino)phenol
CID 15333568
N-(3-butyl-4-hydroxyphenyl)tetradecanamide
CID 142641305
2-tridecylbenzene-1,4-diol
CID 19033717
CID 70568956
CID 70568956
sodium 2-dodecylbenzene-1,4-diol
CID 23460783
4-nonyl-2-pentylphenol
CID 86162849
CID 70369806
CID 70369806
2-butyl-4-(2-trimethylsilylethyl)phenol
CID 150413765
2-butyl-4-dodecoxyphenol
CID 70607238
2-butyl-4-chlorophenol;4-chloro-2-methylphenol
CID 69346609
4-bromo-2-dodecylphenol
CID 25207881

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(methylamino)phenol?
The IUPAC name of 2-butyl-4-(methylamino)phenol (CID 154275387) is 2-butyl-4-(methylamino)phenol.
What is the SMILES notation for 2-butyl-4-(methylamino)phenol?
The canonical SMILES for 2-butyl-4-(methylamino)phenol is CCCCc1cc(NC)ccc1O.
What is the InChIKey of 2-butyl-4-(methylamino)phenol?
The InChIKey is PIWBXPAJASNOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-4-5-9-8-10(12-2)6-7-11(9)13/h6-8,12-13H,3-5H2,1-2H3.
What are the key properties of 2-butyl-4-(methylamino)phenol?
2-butyl-4-(methylamino)phenol has a molecular weight of 179.26 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(methylamino)phenol is sourced from PubChem (CID 154275387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).