4-aminophenol;1-aminopropan-2-ol;methanethiol;propane

C16H36N2O2S — CID 153374410

IUPAC4-aminophenol;1-aminopropan-2-ol;methanethiol;propane
SMILESCC(O)CN.CCC.CCC.CS.Nc1ccc(O)cc1
InChIInChI=1S/C6H7NO.C3H9NO.2C3H8.CH4S/c7-5-1-3-6(8)4-2-5;1-3(5)2-4;2*1-3-2;1-2/h1-4,8H,7H2;3,5H,2,4H2,1H3;2*3H2,1-2H3;2H,1H3
InChIKeyYMBPWNXXELTADH-UHFFFAOYSA-N
MW320.54 g/mol
LogP3.68
Rot. Bonds1

About 4-aminophenol;1-aminopropan-2-ol;methanethiol;propane

4-aminophenol;1-aminopropan-2-ol;methanethiol;propane (PubChem CID 153374410) has the molecular formula C16H36N2O2S and a molecular weight of 320.54 g/mol. Its IUPAC name is 4-aminophenol;1-aminopropan-2-ol;methanethiol;propane.

Molecular Properties

Compound Name4-aminophenol;1-aminopropan-2-ol;methanethiol;propane
PubChem CID153374410
Molecular FormulaC16H36N2O2S
Molecular Weight320.54 g/mol
Exact Mass320.25
IUPAC Name4-aminophenol;1-aminopropan-2-ol;methanethiol;propane
SMILESCC(O)CN.CCC.CCC.CS.Nc1ccc(O)cc1
InChIInChI=1S/C6H7NO.C3H9NO.2C3H8.CH4S/c7-5-1-3-6(8)4-2-5;1-3(5)2-4;2*1-3-2;1-2/h1-4,8H,7H2;3,5H,2,4H2,1H3;2*3H2,1-2H3;2H,1H3
InChIKeyYMBPWNXXELTADH-UHFFFAOYSA-N
XLogP3.68
TPSA92.50 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.54
LogP ≤ 53.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-aminopropan-2-ol;4-methylaniline;propane;propane-2-thiol
CID 153374426
4-aminophenol;butane;methanamine
CID 145479199
lithium;4-aminophenol;hydride
CID 173115053
sodium;4-aminophenol;hydride
CID 173115063
4-[4-amino-N-(4-methylpentan-2-yl)anilino]phenol
CID 169324525
4-[(4-aminophenyl)methyl]aniline;bis(4-ethylphenol)
CID 157077218
4-(4-aminophenyl)sulfanylphenol
CID 22026416
1-amino-4-(4-aminophenyl)pentan-2-ol
CID 112718075
4-[(Z)-1-(4-aminophenyl)-2-methylpent-1-enyl]phenol
CID 145429967
4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol
CID 104556834
benzene-1,4-diol;butane-2,3-diol;ethane-1,2-diol
CID 174897598
4-methylphenol;pentan-2-ol
CID 159232980

Frequently Asked Questions

What is the IUPAC name of 4-aminophenol;1-aminopropan-2-ol;methanethiol;propane?
The IUPAC name of 4-aminophenol;1-aminopropan-2-ol;methanethiol;propane (CID 153374410) is 4-aminophenol;1-aminopropan-2-ol;methanethiol;propane.
What is the SMILES notation for 4-aminophenol;1-aminopropan-2-ol;methanethiol;propane?
The canonical SMILES for 4-aminophenol;1-aminopropan-2-ol;methanethiol;propane is CC(O)CN.CCC.CCC.CS.Nc1ccc(O)cc1.
What is the InChIKey of 4-aminophenol;1-aminopropan-2-ol;methanethiol;propane?
The InChIKey is YMBPWNXXELTADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C3H9NO.2C3H8.CH4S/c7-5-1-3-6(8)4-2-5;1-3(5)2-4;2*1-3-2;1-2/h1-4,8H,7H2;3,5H,2,4H2,1H3;2*3H2,1-2H3;2H,1H3.
What are the key properties of 4-aminophenol;1-aminopropan-2-ol;methanethiol;propane?
4-aminophenol;1-aminopropan-2-ol;methanethiol;propane has a molecular weight of 320.54 g/mol, XLogP of 3.68, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminophenol;1-aminopropan-2-ol;methanethiol;propane is sourced from PubChem (CID 153374410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).