[2-(aminomethyl)cyclopentyl]-(3-ethoxyphenyl)methanone

C15H21NO2 — CID 116584431

IUPAC[2-(aminomethyl)cyclopentyl]-(3-ethoxyphenyl)methanone
SMILESCCOc1cccc(C(=O)C2CCCC2CN)c1
InChIInChI=1S/C15H21NO2/c1-2-18-13-7-3-5-11(9-13)15(17)14-8-4-6-12(14)10-16/h3,5,7,9,12,14H,2,4,6,8,10,16H2,1H3
InChIKeyWUHPKWHUGVSUMR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds5

About [2-(aminomethyl)cyclopentyl]-(3-ethoxyphenyl)methanone

[2-(aminomethyl)cyclopentyl]-(3-ethoxyphenyl)methanone (PubChem CID 116584431) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [2-(aminomethyl)cyclopentyl]-(3-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)cyclopentyl]-(3-ethoxyphenyl)methanone
PubChem CID116584431
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[2-(aminomethyl)cyclopentyl]-(3-ethoxyphenyl)methanone
SMILESCCOc1cccc(C(=O)C2CCCC2CN)c1
InChIInChI=1S/C15H21NO2/c1-2-18-13-7-3-5-11(9-13)15(17)14-8-4-6-12(14)10-16/h3,5,7,9,12,14H,2,4,6,8,10,16H2,1H3
InChIKeyWUHPKWHUGVSUMR-UHFFFAOYSA-N
XLogP2.64
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone
CID 116584636
[2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone
CID 116584488
(3-ethoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568424
(3-ethoxyphenyl)-piperidin-3-ylmethanone
CID 116548107
(3-ethoxyphenyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171947013
(2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
CID 116579945
(3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone
CID 116588175
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
[1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone
CID 116601381
1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid
CID 54794301
[2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone
CID 116584561
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide
CID 119609171

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclopentyl]-(3-ethoxyphenyl)methanone?
The IUPAC name of [2-(aminomethyl)cyclopentyl]-(3-ethoxyphenyl)methanone (CID 116584431) is [2-(aminomethyl)cyclopentyl]-(3-ethoxyphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)cyclopentyl]-(3-ethoxyphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)cyclopentyl]-(3-ethoxyphenyl)methanone is CCOc1cccc(C(=O)C2CCCC2CN)c1.
What is the InChIKey of [2-(aminomethyl)cyclopentyl]-(3-ethoxyphenyl)methanone?
The InChIKey is WUHPKWHUGVSUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-18-13-7-3-5-11(9-13)15(17)14-8-4-6-12(14)10-16/h3,5,7,9,12,14H,2,4,6,8,10,16H2,1H3.
What are the key properties of [2-(aminomethyl)cyclopentyl]-(3-ethoxyphenyl)methanone?
[2-(aminomethyl)cyclopentyl]-(3-ethoxyphenyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclopentyl]-(3-ethoxyphenyl)methanone is sourced from PubChem (CID 116584431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).