2-(cyclopropylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone

C16H23NO2 — CID 94978847

IUPAC2-(cyclopropylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone
SMILESCOc1cc(C)c(C(=O)CNC2CC2)cc1C(C)C
InChIInChI=1S/C16H23NO2/c1-10(2)13-8-14(11(3)7-16(13)19-4)15(18)9-17-12-5-6-12/h7-8,10,12,17H,5-6,9H2,1-4H3
InChIKeyCSQGMPQVXMEYDC-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.06
Rot. Bonds6

About 2-(cyclopropylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone

2-(cyclopropylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone (PubChem CID 94978847) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone
PubChem CID94978847
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(cyclopropylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone
SMILESCOc1cc(C)c(C(=O)CNC2CC2)cc1C(C)C
InChIInChI=1S/C16H23NO2/c1-10(2)13-8-14(11(3)7-16(13)19-4)15(18)9-17-12-5-6-12/h7-8,10,12,17H,5-6,9H2,1-4H3
InChIKeyCSQGMPQVXMEYDC-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 98784307
2-(ethylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone
CID 94978289
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one
CID 94978273
3-chloro-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-one
CID 94978468
cyclohexyl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 82552755
4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-4-oxobutanenitrile
CID 94977910
4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide
CID 83405819
3-chloro-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,2-dione
CID 116822637
4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
CID 116846868
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 116916740
2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 96677935
4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide
CID 100573271

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(cyclopropylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone (CID 94978847) is 2-(cyclopropylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(cyclopropylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(cyclopropylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone is COc1cc(C)c(C(=O)CNC2CC2)cc1C(C)C.
What is the InChIKey of 2-(cyclopropylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone?
The InChIKey is CSQGMPQVXMEYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10(2)13-8-14(11(3)7-16(13)19-4)15(18)9-17-12-5-6-12/h7-8,10,12,17H,5-6,9H2,1-4H3.
What are the key properties of 2-(cyclopropylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone?
2-(cyclopropylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 94978847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).