4-aminophenol;butane;methanamine

C11H22N2O — CID 145479199

IUPAC4-aminophenol;butane;methanamine
SMILESCCCC.CN.Nc1ccc(O)cc1
InChIInChI=1S/C6H7NO.C4H10.CH5N/c7-5-1-3-6(8)4-2-5;1-3-4-2;1-2/h1-4,8H,7H2;3-4H2,1-2H3;2H2,1H3
InChIKeyYVRYBXDLYHMSIY-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.36
Rot. Bonds1

About 4-aminophenol;butane;methanamine

4-aminophenol;butane;methanamine (PubChem CID 145479199) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-aminophenol;butane;methanamine.

Molecular Properties

Compound Name4-aminophenol;butane;methanamine
PubChem CID145479199
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-aminophenol;butane;methanamine
SMILESCCCC.CN.Nc1ccc(O)cc1
InChIInChI=1S/C6H7NO.C4H10.CH5N/c7-5-1-3-6(8)4-2-5;1-3-4-2;1-2/h1-4,8H,7H2;3-4H2,1-2H3;2H2,1H3
InChIKeyYVRYBXDLYHMSIY-UHFFFAOYSA-N
XLogP2.36
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

benzene-1,4-diamine;butane
CID 67434753
sodium;4-aminophenol;hydride
CID 173115063
lithium;4-aminophenol;hydride
CID 173115053
4-[(Z)-1-(4-aminophenyl)-2-methylpent-1-enyl]phenol
CID 145429967
4-[(4-aminophenyl)methyl]aniline;bis(4-ethylphenol)
CID 157077218
4-aminophenol;dodecanoic acid
CID 157063847
4-aminophenol;1-aminopropan-2-ol;methanethiol;propane
CID 153374410
aniline;benzene;benzene-1,4-diol
CID 175585204
4-[(Z)-2-(4-aminophenyl)ethenyl]phenol
CID 25021233
4-(4-aminophenyl)sulfanylphenol
CID 22026416
4-[4-amino-N-(4-methylpentan-2-yl)anilino]phenol
CID 169324525
4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol
CID 171162104

Frequently Asked Questions

What is the IUPAC name of 4-aminophenol;butane;methanamine?
The IUPAC name of 4-aminophenol;butane;methanamine (CID 145479199) is 4-aminophenol;butane;methanamine.
What is the SMILES notation for 4-aminophenol;butane;methanamine?
The canonical SMILES for 4-aminophenol;butane;methanamine is CCCC.CN.Nc1ccc(O)cc1.
What is the InChIKey of 4-aminophenol;butane;methanamine?
The InChIKey is YVRYBXDLYHMSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C4H10.CH5N/c7-5-1-3-6(8)4-2-5;1-3-4-2;1-2/h1-4,8H,7H2;3-4H2,1-2H3;2H2,1H3.
What are the key properties of 4-aminophenol;butane;methanamine?
4-aminophenol;butane;methanamine has a molecular weight of 198.31 g/mol, XLogP of 2.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminophenol;butane;methanamine is sourced from PubChem (CID 145479199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).