2-[(3-methoxy-N-methylanilino)methyl]cyclopentan-1-one

C14H19NO2 — CID 62611884

IUPAC2-[(3-methoxy-N-methylanilino)methyl]cyclopentan-1-one
SMILESCOc1cccc(N(C)CC2CCCC2=O)c1
InChIInChI=1S/C14H19NO2/c1-15(10-11-5-3-8-14(11)16)12-6-4-7-13(9-12)17-2/h4,6-7,9,11H,3,5,8,10H2,1-2H3
InChIKeyCOPYKQPWTJCCDQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.50
Rot. Bonds4

About 2-[(3-methoxy-N-methylanilino)methyl]cyclopentan-1-one

2-[(3-methoxy-N-methylanilino)methyl]cyclopentan-1-one (PubChem CID 62611884) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[(3-methoxy-N-methylanilino)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(3-methoxy-N-methylanilino)methyl]cyclopentan-1-one
PubChem CID62611884
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[(3-methoxy-N-methylanilino)methyl]cyclopentan-1-one
SMILESCOc1cccc(N(C)CC2CCCC2=O)c1
InChIInChI=1S/C14H19NO2/c1-15(10-11-5-3-8-14(11)16)12-6-4-7-13(9-12)17-2/h4,6-7,9,11H,3,5,8,10H2,1-2H3
InChIKeyCOPYKQPWTJCCDQ-UHFFFAOYSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62614928
(2S)-2-[(3-methoxyphenyl)methyl]cyclohexan-1-one
CID 57106440
2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one
CID 79570431
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
1-methoxy-3-methylbenzene;2-[(3-methoxyphenyl)methyl]cyclohexan-1-one
CID 145337501
2-[(4-hydroxy-N-methylanilino)methyl]cycloheptan-1-one
CID 62613008
2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one
CID 55094732
1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 104745745
2-[(4-methoxyphenyl)methyl]cyclopentan-1-one
CID 11790327
5-methoxy-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione
CID 79577163
2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione
CID 131850985
N-[2-(1,3-dioxan-2-yl)ethyl]-3-methoxy-N-methylaniline
CID 66472308

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-N-methylanilino)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(3-methoxy-N-methylanilino)methyl]cyclopentan-1-one (CID 62611884) is 2-[(3-methoxy-N-methylanilino)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(3-methoxy-N-methylanilino)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(3-methoxy-N-methylanilino)methyl]cyclopentan-1-one is COc1cccc(N(C)CC2CCCC2=O)c1.
What is the InChIKey of 2-[(3-methoxy-N-methylanilino)methyl]cyclopentan-1-one?
The InChIKey is COPYKQPWTJCCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15(10-11-5-3-8-14(11)16)12-6-4-7-13(9-12)17-2/h4,6-7,9,11H,3,5,8,10H2,1-2H3.
What are the key properties of 2-[(3-methoxy-N-methylanilino)methyl]cyclopentan-1-one?
2-[(3-methoxy-N-methylanilino)methyl]cyclopentan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-N-methylanilino)methyl]cyclopentan-1-one is sourced from PubChem (CID 62611884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).