2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone

C16H25NO2 — CID 60678370

IUPAC2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone
SMILESCC(C)CN(CC(=O)c1ccc(O)cc1)CC(C)C
InChIInChI=1S/C16H25NO2/c1-12(2)9-17(10-13(3)4)11-16(19)14-5-7-15(18)8-6-14/h5-8,12-13,18H,9-11H2,1-4H3
InChIKeyMVCXRLPYFMOWSY-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.19
Rot. Bonds7

About 2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone

2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone (PubChem CID 60678370) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone
PubChem CID60678370
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone
SMILESCC(C)CN(CC(=O)c1ccc(O)cc1)CC(C)C
InChIInChI=1S/C16H25NO2/c1-12(2)9-17(10-13(3)4)11-16(19)14-5-7-15(18)8-6-14/h5-8,12-13,18H,9-11H2,1-4H3
InChIKeyMVCXRLPYFMOWSY-UHFFFAOYSA-N
XLogP3.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 107870506
2-[ethyl(2-methylpropyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 43795913
1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796166
2-[[2-(4-methoxyphenyl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62035280
4-[bis(2-methylpropyl)amino]butyl 4-hydroxybenzoate
CID 139714320
1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone
CID 54986707
3-[[2-(4-hydroxyphenyl)-2-oxoethyl]-methylamino]-2-methylpropanenitrile
CID 62051504
3-[[2-(4-chlorophenyl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile
CID 60649770
2-[bis(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 60649688
ethane;1-(4-hydroxyphenyl)propan-1-one
CID 144611752
2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62030928
2-[1-cyclopropylethyl(methyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 43796691

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone?
The IUPAC name of 2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone (CID 60678370) is 2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone is CC(C)CN(CC(=O)c1ccc(O)cc1)CC(C)C.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone?
The InChIKey is MVCXRLPYFMOWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)9-17(10-13(3)4)11-16(19)14-5-7-15(18)8-6-14/h5-8,12-13,18H,9-11H2,1-4H3.
What are the key properties of 2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone?
2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone has a molecular weight of 263.38 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 60678370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).