2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone

C16H23NO2 — CID 103434857

IUPAC2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone
SMILESCOc1c(C(=O)CC2(N)CCCC2)ccc(C)c1C
InChIInChI=1S/C16H23NO2/c1-11-6-7-13(15(19-3)12(11)2)14(18)10-16(17)8-4-5-9-16/h6-7H,4-5,8-10,17H2,1-3H3
InChIKeyDSPQHBCOUXBACL-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.16
Rot. Bonds4

About 2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone

2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone (PubChem CID 103434857) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone
PubChem CID103434857
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone
SMILESCOc1c(C(=O)CC2(N)CCCC2)ccc(C)c1C
InChIInChI=1S/C16H23NO2/c1-11-6-7-13(15(19-3)12(11)2)14(18)10-16(17)8-4-5-9-16/h6-7H,4-5,8-10,17H2,1-3H3
InChIKeyDSPQHBCOUXBACL-UHFFFAOYSA-N
XLogP3.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434920
2-(1-aminocyclopentyl)-1-(2-methylphenyl)ethanone
CID 116578815
2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone
CID 116578896
2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 116578600
2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone
CID 116811535
1-(2-methoxy-3,4-dimethylphenyl)heptan-1-one
CID 103435068
1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone
CID 103432888
2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 116591399
cyclopentyl-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103432869
(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 103434862
1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
2-(3-aminophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone
CID 103434852

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone?
The IUPAC name of 2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone (CID 103434857) is 2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone is COc1c(C(=O)CC2(N)CCCC2)ccc(C)c1C.
What is the InChIKey of 2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone?
The InChIKey is DSPQHBCOUXBACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-6-7-13(15(19-3)12(11)2)14(18)10-16(17)8-4-5-9-16/h6-7H,4-5,8-10,17H2,1-3H3.
What are the key properties of 2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone?
2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 103434857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).