1-[5-(butylamino)-2-hydroxyphenyl]ethanone

C12H17NO2 — CID 53407143

IUPAC1-[5-(butylamino)-2-hydroxyphenyl]ethanone
SMILESCCCCNc1ccc(O)c(C(C)=O)c1
InChIInChI=1S/C12H17NO2/c1-3-4-7-13-10-5-6-12(15)11(8-10)9(2)14/h5-6,8,13,15H,3-4,7H2,1-2H3
InChIKeyBKGANAFEDBCHTO-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.81
Rot. Bonds5

About 1-[5-(butylamino)-2-hydroxyphenyl]ethanone

1-[5-(butylamino)-2-hydroxyphenyl]ethanone (PubChem CID 53407143) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[5-(butylamino)-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[5-(butylamino)-2-hydroxyphenyl]ethanone
PubChem CID53407143
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[5-(butylamino)-2-hydroxyphenyl]ethanone
SMILESCCCCNc1ccc(O)c(C(C)=O)c1
InChIInChI=1S/C12H17NO2/c1-3-4-7-13-10-5-6-12(15)11(8-10)9(2)14/h5-6,8,13,15H,3-4,7H2,1-2H3
InChIKeyBKGANAFEDBCHTO-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-4-(decylamino)phenyl]ethanone
CID 104529025
2-hydroxy-5-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]benzoic acid
CID 70436521
4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid
CID 68720617
2-hydroxy-5-[[(9Z,12Z)-octadeca-9,12-dienyl]amino]benzoic acid
CID 70437869
4-(dodecylamino)-2-hydroxybenzoic acid
CID 150878020
CID 70563593
CID 70563593
1-(2-hydroxy-5-nonylphenyl)ethanone
CID 10869095
[2-amino-5-(butylamino)phenyl]-phenylmethanone
CID 154388961
disodium;4-(dodecylamino)phthalate
CID 70562640
4-(3-acetyl-4-aminoanilino)butanamide
CID 113432981
disodium;hydride;4-(octadecylamino)phthalic acid
CID 173436472
methyl 2-fluoro-5-(pentylamino)benzoate
CID 43715336

Frequently Asked Questions

What is the IUPAC name of 1-[5-(butylamino)-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[5-(butylamino)-2-hydroxyphenyl]ethanone (CID 53407143) is 1-[5-(butylamino)-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[5-(butylamino)-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[5-(butylamino)-2-hydroxyphenyl]ethanone is CCCCNc1ccc(O)c(C(C)=O)c1.
What is the InChIKey of 1-[5-(butylamino)-2-hydroxyphenyl]ethanone?
The InChIKey is BKGANAFEDBCHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-4-7-13-10-5-6-12(15)11(8-10)9(2)14/h5-6,8,13,15H,3-4,7H2,1-2H3.
What are the key properties of 1-[5-(butylamino)-2-hydroxyphenyl]ethanone?
1-[5-(butylamino)-2-hydroxyphenyl]ethanone has a molecular weight of 207.27 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(butylamino)-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 53407143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).