1-[butyl(ethyl)amino]-3-(2-hydroxy-6-methylphenyl)propan-2-one

C16H25NO2 — CID 159738845

IUPAC1-[butyl(ethyl)amino]-3-(2-hydroxy-6-methylphenyl)propan-2-one
SMILESCCCCN(CC)CC(=O)Cc1c(C)cccc1O
InChIInChI=1S/C16H25NO2/c1-4-6-10-17(5-2)12-14(18)11-15-13(3)8-7-9-16(15)19/h7-9,19H,4-6,10-12H2,1-3H3
InChIKeyAAGNCABXRQTMKN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.93
Rot. Bonds8

About 1-[butyl(ethyl)amino]-3-(2-hydroxy-6-methylphenyl)propan-2-one

1-[butyl(ethyl)amino]-3-(2-hydroxy-6-methylphenyl)propan-2-one (PubChem CID 159738845) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[butyl(ethyl)amino]-3-(2-hydroxy-6-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-[butyl(ethyl)amino]-3-(2-hydroxy-6-methylphenyl)propan-2-one
PubChem CID159738845
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[butyl(ethyl)amino]-3-(2-hydroxy-6-methylphenyl)propan-2-one
SMILESCCCCN(CC)CC(=O)Cc1c(C)cccc1O
InChIInChI=1S/C16H25NO2/c1-4-6-10-17(5-2)12-14(18)11-15-13(3)8-7-9-16(15)19/h7-9,19H,4-6,10-12H2,1-3H3
InChIKeyAAGNCABXRQTMKN-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one
CID 158292026
1-[ethyl(propyl)amino]-3-(2-methoxy-6-methylphenyl)propan-2-one
CID 161490214
1-(3-bromo-2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one
CID 158899698
2-butyl-3-methylphenol
CID 174788119
2-butyl-3-methylphenol;2,3-dimethylphenol
CID 67848527
N-(2-amino-6-methylphenyl)-2-[butyl(ethyl)amino]acetamide
CID 43375741
1-(2,6-dimethylphenyl)undecan-2-one
CID 115792441
3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine
CID 3024726
2-hexyl-3-methylphenol
CID 28322
N-(2,6-dimethylphenyl)-2-[2-[[[4-(2,6-dimethylphenyl)-2-oxobutyl]-octylamino]methylsulfanyl]ethyl-ethylamino]acetamide
CID 139404924
2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methylphenol
CID 102999108
(2-hydroxy-6-methylphenyl)methanesulfonic acid;octane
CID 174514147

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(ethyl)amino]-3-(2-hydroxy-6-methylphenyl)propan-2-one?
The IUPAC name of 1-[butyl(ethyl)amino]-3-(2-hydroxy-6-methylphenyl)propan-2-one (CID 159738845) is 1-[butyl(ethyl)amino]-3-(2-hydroxy-6-methylphenyl)propan-2-one.
What is the SMILES notation for 1-[butyl(ethyl)amino]-3-(2-hydroxy-6-methylphenyl)propan-2-one?
The canonical SMILES for 1-[butyl(ethyl)amino]-3-(2-hydroxy-6-methylphenyl)propan-2-one is CCCCN(CC)CC(=O)Cc1c(C)cccc1O.
What is the InChIKey of 1-[butyl(ethyl)amino]-3-(2-hydroxy-6-methylphenyl)propan-2-one?
The InChIKey is AAGNCABXRQTMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-6-10-17(5-2)12-14(18)11-15-13(3)8-7-9-16(15)19/h7-9,19H,4-6,10-12H2,1-3H3.
What are the key properties of 1-[butyl(ethyl)amino]-3-(2-hydroxy-6-methylphenyl)propan-2-one?
1-[butyl(ethyl)amino]-3-(2-hydroxy-6-methylphenyl)propan-2-one has a molecular weight of 263.38 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(ethyl)amino]-3-(2-hydroxy-6-methylphenyl)propan-2-one is sourced from PubChem (CID 159738845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).