1-[5-chloro-2-hydroxy-3-[[methyl(pentyl)amino]methyl]phenyl]ethanone

C15H22ClNO2 — CID 43793038

IUPAC1-[5-chloro-2-hydroxy-3-[[methyl(pentyl)amino]methyl]phenyl]ethanone
SMILESCCCCCN(C)Cc1cc(Cl)cc(C(C)=O)c1O
InChIInChI=1S/C15H22ClNO2/c1-4-5-6-7-17(3)10-12-8-13(16)9-14(11(2)18)15(12)19/h8-9,19H,4-7,10H2,1-3H3
InChIKeyAEUHEYSAGRQZIU-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.87
Rot. Bonds7

About 1-[5-chloro-2-hydroxy-3-[[methyl(pentyl)amino]methyl]phenyl]ethanone

1-[5-chloro-2-hydroxy-3-[[methyl(pentyl)amino]methyl]phenyl]ethanone (PubChem CID 43793038) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[5-chloro-2-hydroxy-3-[[methyl(pentyl)amino]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-2-hydroxy-3-[[methyl(pentyl)amino]methyl]phenyl]ethanone
PubChem CID43793038
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-[5-chloro-2-hydroxy-3-[[methyl(pentyl)amino]methyl]phenyl]ethanone
SMILESCCCCCN(C)Cc1cc(Cl)cc(C(C)=O)c1O
InChIInChI=1S/C15H22ClNO2/c1-4-5-6-7-17(3)10-12-8-13(16)9-14(11(2)18)15(12)19/h8-9,19H,4-7,10H2,1-3H3
InChIKeyAEUHEYSAGRQZIU-UHFFFAOYSA-N
XLogP3.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-chloro-3-[[ethyl(methyl)amino]methyl]-2-hydroxyphenyl]ethanone
CID 43792880
1-[5-chloro-3-[[cyclobutylmethyl(methyl)amino]methyl]-2-hydroxyphenyl]ethanone
CID 55126287
1-[5-chloro-2-hydroxy-3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanone
CID 79488695
1-[5-chloro-2-hydroxy-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanone
CID 62051425
3-[(3-acetyl-5-chloro-2-hydroxyphenyl)methyl-methylamino]butanenitrile
CID 63223349
1-[5-chloro-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-2-hydroxyphenyl]ethanone
CID 62031098
4-methyl-2-[[methyl(pentyl)amino]methyl]phenol
CID 82976648
1-[5-chloro-2-hydroxy-3-(2-methoxyethoxymethyl)phenyl]ethanone
CID 171074474
4-bromo-2-[[methyl(pentyl)amino]methyl]phenol
CID 82977633
1-[5-chloro-3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-2-hydroxyphenyl]ethanone
CID 106670333
1-[5-chloro-2-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethanone
CID 43792814
N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine
CID 5150681

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-hydroxy-3-[[methyl(pentyl)amino]methyl]phenyl]ethanone?
The IUPAC name of 1-[5-chloro-2-hydroxy-3-[[methyl(pentyl)amino]methyl]phenyl]ethanone (CID 43793038) is 1-[5-chloro-2-hydroxy-3-[[methyl(pentyl)amino]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[5-chloro-2-hydroxy-3-[[methyl(pentyl)amino]methyl]phenyl]ethanone?
The canonical SMILES for 1-[5-chloro-2-hydroxy-3-[[methyl(pentyl)amino]methyl]phenyl]ethanone is CCCCCN(C)Cc1cc(Cl)cc(C(C)=O)c1O.
What is the InChIKey of 1-[5-chloro-2-hydroxy-3-[[methyl(pentyl)amino]methyl]phenyl]ethanone?
The InChIKey is AEUHEYSAGRQZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-4-5-6-7-17(3)10-12-8-13(16)9-14(11(2)18)15(12)19/h8-9,19H,4-7,10H2,1-3H3.
What are the key properties of 1-[5-chloro-2-hydroxy-3-[[methyl(pentyl)amino]methyl]phenyl]ethanone?
1-[5-chloro-2-hydroxy-3-[[methyl(pentyl)amino]methyl]phenyl]ethanone has a molecular weight of 283.80 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-hydroxy-3-[[methyl(pentyl)amino]methyl]phenyl]ethanone is sourced from PubChem (CID 43793038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).