2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone

C14H19NO3 — CID 98784307

IUPAC2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
SMILESCOc1cc(C)c(C(=O)CNC2CC2)cc1OC
InChIInChI=1S/C14H19NO3/c1-9-6-13(17-2)14(18-3)7-11(9)12(16)8-15-10-4-5-10/h6-7,10,15H,4-5,8H2,1-3H3
InChIKeyUDZHNNZMKLZNOZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.95
Rot. Bonds6

About 2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone

2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone (PubChem CID 98784307) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
PubChem CID98784307
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
SMILESCOc1cc(C)c(C(=O)CNC2CC2)cc1OC
InChIInChI=1S/C14H19NO3/c1-9-6-13(17-2)14(18-3)7-11(9)12(16)8-15-10-4-5-10/h6-7,10,15H,4-5,8H2,1-3H3
InChIKeyUDZHNNZMKLZNOZ-UHFFFAOYSA-N
XLogP1.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone
CID 94978847
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 82102039
1-(4,5-dimethoxy-2-methylphenyl)butane-1,3-dione
CID 116919445
2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 96677935
2-bromo-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 15643655
methyl 4-(4,5-dimethoxy-2-methylphenyl)-4-oxobutanoate
CID 116919180
2-(cyclopropylamino)-N-(4-methoxy-3-methylphenyl)acetamide
CID 54964531
4,5-dimethoxy-2-methylbenzoyl bromide
CID 116924582
2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone
CID 82121333
1-(4,5-dimethoxy-2-methylphenyl)-4-hydroxybutan-1-one
CID 98015233
1-(3,4-dimethoxyphenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]ethanone
CID 94327694
2-(2-hydroxyethylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanone
CID 98015033

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone?
The IUPAC name of 2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone (CID 98784307) is 2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone.
What is the SMILES notation for 2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone?
The canonical SMILES for 2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone is COc1cc(C)c(C(=O)CNC2CC2)cc1OC.
What is the InChIKey of 2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone?
The InChIKey is UDZHNNZMKLZNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9-6-13(17-2)14(18-3)7-11(9)12(16)8-15-10-4-5-10/h6-7,10,15H,4-5,8H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone?
2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone has a molecular weight of 249.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone is sourced from PubChem (CID 98784307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).