2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone

C13H17NO — CID 43795012

IUPAC2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN(C)C2CC2)cc1
InChIInChI=1S/C13H17NO/c1-10-3-5-11(6-4-10)13(15)9-14(2)12-7-8-12/h3-6,12H,7-9H2,1-2H3
InChIKeyXOBPGUOVOAMYHH-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.27
Rot. Bonds4

About 2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone

2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone (PubChem CID 43795012) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone
PubChem CID43795012
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN(C)C2CC2)cc1
InChIInChI=1S/C13H17NO/c1-10-3-5-11(6-4-10)13(15)9-14(2)12-7-8-12/h3-6,12H,7-9H2,1-2H3
InChIKeyXOBPGUOVOAMYHH-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795211
1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone
CID 43795016
3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62612486
1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone
CID 43219367
2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone
CID 55001981
1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone
CID 63567709
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone
CID 62030869
1-(2,4-dimethylphenyl)-2-[methyl(oxan-4-yl)amino]ethanone
CID 43797441
3-[methyl-[2-(4-methylphenyl)-2-oxoethyl]amino]propanoic acid
CID 82136245
1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone
CID 60681563
3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613172
2-[cyclopropyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoic acid
CID 119202169

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone (CID 43795012) is 2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CN(C)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone?
The InChIKey is XOBPGUOVOAMYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-3-5-11(6-4-10)13(15)9-14(2)12-7-8-12/h3-6,12H,7-9H2,1-2H3.
What are the key properties of 2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone?
2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone has a molecular weight of 203.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 43795012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).