1-(4-methoxy-3-propan-2-ylphenyl)-3-(propan-2-ylamino)propan-1-one

C16H25NO2 — CID 94275905

IUPAC1-(4-methoxy-3-propan-2-ylphenyl)-3-(propan-2-ylamino)propan-1-one
SMILESCOc1ccc(C(=O)CCNC(C)C)cc1C(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)14-10-13(6-7-16(14)19-5)15(18)8-9-17-12(3)4/h6-7,10-12,17H,8-9H2,1-5H3
InChIKeyGTSGTNHYCSNYOY-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.39
Rot. Bonds7

About 1-(4-methoxy-3-propan-2-ylphenyl)-3-(propan-2-ylamino)propan-1-one

1-(4-methoxy-3-propan-2-ylphenyl)-3-(propan-2-ylamino)propan-1-one (PubChem CID 94275905) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(4-methoxy-3-propan-2-ylphenyl)-3-(propan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-3-propan-2-ylphenyl)-3-(propan-2-ylamino)propan-1-one
PubChem CID94275905
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(4-methoxy-3-propan-2-ylphenyl)-3-(propan-2-ylamino)propan-1-one
SMILESCOc1ccc(C(=O)CCNC(C)C)cc1C(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)14-10-13(6-7-16(14)19-5)15(18)8-9-17-12(3)4/h6-7,10-12,17H,8-9H2,1-5H3
InChIKeyGTSGTNHYCSNYOY-UHFFFAOYSA-N
XLogP3.39
TPSA38.33 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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one
CID 82367309
1-(5-chloro-2-methoxyphenyl)-3-(propan-2-ylamino)propan-1-one
CID 94271591
2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
CID 82116578
2-(4-methoxy-3-propan-2-ylphenyl)-3-methylbut-2-enoic acid
CID 82296347
2-(2-hydroxy-2,6,6-trimethylcyclohexyl)-1-(4-methoxy-3-propan-2-ylphenyl)ethanone
CID 177466345
2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoacetaldehyde
CID 82645508
(1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone
CID 116924282
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854887
1-(3,4-dimethoxyphenyl)-3-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]propan-1-one
CID 110174775
1-(3,4-dichlorophenyl)-4-(propan-2-ylamino)butan-1-one
CID 116558293
2-amino-3-(4-methoxy-3-propan-2-ylphenyl)-3-oxopropanoic acid
CID 116920480
methyl 4-(4-hydroxy-3-propan-2-ylphenyl)-4-oxobutanoate
CID 82550663

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-propan-2-ylphenyl)-3-(propan-2-ylamino)propan-1-one?
The IUPAC name of 1-(4-methoxy-3-propan-2-ylphenyl)-3-(propan-2-ylamino)propan-1-one (CID 94275905) is 1-(4-methoxy-3-propan-2-ylphenyl)-3-(propan-2-ylamino)propan-1-one.
What is the SMILES notation for 1-(4-methoxy-3-propan-2-ylphenyl)-3-(propan-2-ylamino)propan-1-one?
The canonical SMILES for 1-(4-methoxy-3-propan-2-ylphenyl)-3-(propan-2-ylamino)propan-1-one is COc1ccc(C(=O)CCNC(C)C)cc1C(C)C.
What is the InChIKey of 1-(4-methoxy-3-propan-2-ylphenyl)-3-(propan-2-ylamino)propan-1-one?
The InChIKey is GTSGTNHYCSNYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)14-10-13(6-7-16(14)19-5)15(18)8-9-17-12(3)4/h6-7,10-12,17H,8-9H2,1-5H3.
What are the key properties of 1-(4-methoxy-3-propan-2-ylphenyl)-3-(propan-2-ylamino)propan-1-one?
1-(4-methoxy-3-propan-2-ylphenyl)-3-(propan-2-ylamino)propan-1-one has a molecular weight of 263.38 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-propan-2-ylphenyl)-3-(propan-2-ylamino)propan-1-one is sourced from PubChem (CID 94275905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).