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

C15H21NO — CID 43795211

IUPAC2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN(C)C2CCCC2)cc1
InChIInChI=1S/C15H21NO/c1-12-7-9-13(10-8-12)15(17)11-16(2)14-5-3-4-6-14/h7-10,14H,3-6,11H2,1-2H3
InChIKeyXGPJMFICSFXFAS-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.05
Rot. Bonds4

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

2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone (PubChem CID 43795211) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone
PubChem CID43795211
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN(C)C2CCCC2)cc1
InChIInChI=1S/C15H21NO/c1-12-7-9-13(10-8-12)15(17)11-16(2)14-5-3-4-6-14/h7-10,14H,3-6,11H2,1-2H3
InChIKeyXGPJMFICSFXFAS-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795012
3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62612486
1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone
CID 43219367
1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone
CID 43795016
3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613172
2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone
CID 61446014
2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone
CID 55001981
1-(3,4-dimethylphenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone
CID 61445964
1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone
CID 63567709
1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
CID 62547145
2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone
CID 2452744
3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one
CID 102848375

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone (CID 43795211) is 2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CN(C)C2CCCC2)cc1.
What is the InChIKey of 2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone?
The InChIKey is XGPJMFICSFXFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-7-9-13(10-8-12)15(17)11-16(2)14-5-3-4-6-14/h7-10,14H,3-6,11H2,1-2H3.
What are the key properties of 2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone?
2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone has a molecular weight of 231.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 43795211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).