cyclopentyl 2-[4-(aminomethyl)phenyl]acetate

C14H19NO2 — CID 174631265

IUPACcyclopentyl 2-[4-(aminomethyl)phenyl]acetate
SMILESNCc1ccc(CC(=O)OC2CCCC2)cc1
InChIInChI=1S/C14H19NO2/c15-10-12-7-5-11(6-8-12)9-14(16)17-13-3-1-2-4-13/h5-8,13H,1-4,9-10,15H2
InChIKeyIMTXUJDEJKGBAX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.17
Rot. Bonds4

About cyclopentyl 2-[4-(aminomethyl)phenyl]acetate

cyclopentyl 2-[4-(aminomethyl)phenyl]acetate (PubChem CID 174631265) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is cyclopentyl 2-[4-(aminomethyl)phenyl]acetate.

Molecular Properties

Compound Namecyclopentyl 2-[4-(aminomethyl)phenyl]acetate
PubChem CID174631265
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namecyclopentyl 2-[4-(aminomethyl)phenyl]acetate
SMILESNCc1ccc(CC(=O)OC2CCCC2)cc1
InChIInChI=1S/C14H19NO2/c15-10-12-7-5-11(6-8-12)9-14(16)17-13-3-1-2-4-13/h5-8,13H,1-4,9-10,15H2
InChIKeyIMTXUJDEJKGBAX-UHFFFAOYSA-N
XLogP2.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate
CID 52537150
cycloheptyl 2-(3-aminophenyl)acetate
CID 62499374
cyclobutyl 4-(aminomethyl)benzoate
CID 62217403
cyclopropyl 2-phenylacetate
CID 135066962
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269
oxan-4-yl 2-(4-aminophenyl)acetate
CID 61286946
2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide
CID 63588883
cyclobutyl 2-[4-(5-methyltetrazol-5-yl)phenyl]acetate
CID 70082946
cyclohexyl 2-[4-[3-(3-hydroxypropylamino)propoxy]phenyl]acetate
CID 67767054
cyclopentyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309315
cyclooctyl 2-pyridin-2-ylacetate
CID 15055568
cyclopentyl 4-(2-amino-2-sulfanylideneethyl)benzoate
CID 82179718

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-[4-(aminomethyl)phenyl]acetate?
The IUPAC name of cyclopentyl 2-[4-(aminomethyl)phenyl]acetate (CID 174631265) is cyclopentyl 2-[4-(aminomethyl)phenyl]acetate.
What is the SMILES notation for cyclopentyl 2-[4-(aminomethyl)phenyl]acetate?
The canonical SMILES for cyclopentyl 2-[4-(aminomethyl)phenyl]acetate is NCc1ccc(CC(=O)OC2CCCC2)cc1.
What is the InChIKey of cyclopentyl 2-[4-(aminomethyl)phenyl]acetate?
The InChIKey is IMTXUJDEJKGBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c15-10-12-7-5-11(6-8-12)9-14(16)17-13-3-1-2-4-13/h5-8,13H,1-4,9-10,15H2.
What are the key properties of cyclopentyl 2-[4-(aminomethyl)phenyl]acetate?
cyclopentyl 2-[4-(aminomethyl)phenyl]acetate has a molecular weight of 233.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-[4-(aminomethyl)phenyl]acetate is sourced from PubChem (CID 174631265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).