2-amino-1-(2-cyclopentyloxy-3,4-dimethylphenyl)ethanone

C15H21NO2 — CID 117371020

IUPAC2-amino-1-(2-cyclopentyloxy-3,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CN)c(OC2CCCC2)c1C
InChIInChI=1S/C15H21NO2/c1-10-7-8-13(14(17)9-16)15(11(10)2)18-12-5-3-4-6-12/h7-8,12H,3-6,9,16H2,1-2H3
InChIKeyFCNGMOWGLOGBGQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.77
Rot. Bonds4

About 2-amino-1-(2-cyclopentyloxy-3,4-dimethylphenyl)ethanone

2-amino-1-(2-cyclopentyloxy-3,4-dimethylphenyl)ethanone (PubChem CID 117371020) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-1-(2-cyclopentyloxy-3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-cyclopentyloxy-3,4-dimethylphenyl)ethanone
PubChem CID117371020
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-amino-1-(2-cyclopentyloxy-3,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CN)c(OC2CCCC2)c1C
InChIInChI=1S/C15H21NO2/c1-10-7-8-13(14(17)9-16)15(11(10)2)18-12-5-3-4-6-12/h7-8,12H,3-6,9,16H2,1-2H3
InChIKeyFCNGMOWGLOGBGQ-UHFFFAOYSA-N
XLogP2.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-2-piperidin-4-yloxybenzamide
CID 175125631
1-(2-cyclopentyloxy-3-methylphenyl)ethanone
CID 82079338
2-amino-1-(5-bromo-2-cyclobutyloxy-3-methoxyphenyl)ethanone
CID 117499384
cyclopentyl-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103432869
2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone
CID 103434857
2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82281637
2-[(2-cyclopentyloxy-3,4-dimethylphenyl)methyl]pyrrolidine
CID 117436699
[1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434920
ethyl 4-cyclohexyloxynaphthalene-1-carboxylate
CID 174623624
3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one
CID 117342156
1-[2-(2-cyclopentyloxy-3,4-dimethylphenyl)ethyl]piperazine
CID 117487419
methyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate
CID 66781747

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-cyclopentyloxy-3,4-dimethylphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-cyclopentyloxy-3,4-dimethylphenyl)ethanone (CID 117371020) is 2-amino-1-(2-cyclopentyloxy-3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-cyclopentyloxy-3,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-cyclopentyloxy-3,4-dimethylphenyl)ethanone is Cc1ccc(C(=O)CN)c(OC2CCCC2)c1C.
What is the InChIKey of 2-amino-1-(2-cyclopentyloxy-3,4-dimethylphenyl)ethanone?
The InChIKey is FCNGMOWGLOGBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-7-8-13(14(17)9-16)15(11(10)2)18-12-5-3-4-6-12/h7-8,12H,3-6,9,16H2,1-2H3.
What are the key properties of 2-amino-1-(2-cyclopentyloxy-3,4-dimethylphenyl)ethanone?
2-amino-1-(2-cyclopentyloxy-3,4-dimethylphenyl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-cyclopentyloxy-3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 117371020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).