1-[2-hydroxy-4-[methyl(pentyl)amino]phenyl]ethanone

C14H21NO2 — CID 79600754

IUPAC1-[2-hydroxy-4-[methyl(pentyl)amino]phenyl]ethanone
SMILESCCCCCN(C)c1ccc(C(C)=O)c(O)c1
InChIInChI=1S/C14H21NO2/c1-4-5-6-9-15(3)12-7-8-13(11(2)16)14(17)10-12/h7-8,10,17H,4-6,9H2,1-3H3
InChIKeyQKUGIAONZKXUMZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.22
Rot. Bonds6

About 1-[2-hydroxy-4-[methyl(pentyl)amino]phenyl]ethanone

1-[2-hydroxy-4-[methyl(pentyl)amino]phenyl]ethanone (PubChem CID 79600754) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-hydroxy-4-[methyl(pentyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-4-[methyl(pentyl)amino]phenyl]ethanone
PubChem CID79600754
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[2-hydroxy-4-[methyl(pentyl)amino]phenyl]ethanone
SMILESCCCCCN(C)c1ccc(C(C)=O)c(O)c1
InChIInChI=1S/C14H21NO2/c1-4-5-6-9-15(3)12-7-8-13(11(2)16)14(17)10-12/h7-8,10,17H,4-6,9H2,1-3H3
InChIKeyQKUGIAONZKXUMZ-UHFFFAOYSA-N
XLogP3.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-4-[5-hydroxypentyl(methyl)amino]phenyl]ethanone
CID 107200376
1-[4-[methyl(pentyl)amino]-2-nitrophenyl]ethanone
CID 104529539
1-[2-hydroxy-4-[(3-hydroxycyclobutyl)methyl-methylamino]phenyl]ethanone
CID 79600049
1-[2-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]phenyl]ethanone
CID 79600216
4-N-methyl-4-N-pentylbenzene-1,2,4-triamine
CID 106750383
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
5-[butyl(methyl)amino]-2-(propanoylamino)benzoic acid
CID 50782828
1-[4-(N,3-dimethylanilino)-2-hydroxyphenyl]ethanone
CID 79600219
N-(3,4-dihydroxyphenyl)-N-pentylpropanamide
CID 54195244
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
1-[2-amino-5-[methyl-[3-(methylamino)propyl]amino]phenyl]ethanone
CID 104613009
1-[4-[ethyl(1-methoxypropan-2-yl)amino]-2-hydroxyphenyl]ethanone
CID 79600850

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-[methyl(pentyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-4-[methyl(pentyl)amino]phenyl]ethanone (CID 79600754) is 1-[2-hydroxy-4-[methyl(pentyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-4-[methyl(pentyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-4-[methyl(pentyl)amino]phenyl]ethanone is CCCCCN(C)c1ccc(C(C)=O)c(O)c1.
What is the InChIKey of 1-[2-hydroxy-4-[methyl(pentyl)amino]phenyl]ethanone?
The InChIKey is QKUGIAONZKXUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-5-6-9-15(3)12-7-8-13(11(2)16)14(17)10-12/h7-8,10,17H,4-6,9H2,1-3H3.
What are the key properties of 1-[2-hydroxy-4-[methyl(pentyl)amino]phenyl]ethanone?
1-[2-hydroxy-4-[methyl(pentyl)amino]phenyl]ethanone has a molecular weight of 235.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-[methyl(pentyl)amino]phenyl]ethanone is sourced from PubChem (CID 79600754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).