cycloheptyl 2-(3-aminophenyl)acetate

C15H21NO2 — CID 62499374

IUPACcycloheptyl 2-(3-aminophenyl)acetate
SMILESNc1cccc(CC(=O)OC2CCCCCC2)c1
InChIInChI=1S/C15H21NO2/c16-13-7-5-6-12(10-13)11-15(17)18-14-8-3-1-2-4-9-14/h5-7,10,14H,1-4,8-9,11,16H2
InChIKeyUOKABIKVAMGLIZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.08
Rot. Bonds3

About cycloheptyl 2-(3-aminophenyl)acetate

cycloheptyl 2-(3-aminophenyl)acetate (PubChem CID 62499374) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is cycloheptyl 2-(3-aminophenyl)acetate.

Molecular Properties

Compound Namecycloheptyl 2-(3-aminophenyl)acetate
PubChem CID62499374
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namecycloheptyl 2-(3-aminophenyl)acetate
SMILESNc1cccc(CC(=O)OC2CCCCCC2)c1
InChIInChI=1S/C15H21NO2/c16-13-7-5-6-12(10-13)11-15(17)18-14-8-3-1-2-4-9-14/h5-7,10,14H,1-4,8-9,11,16H2
InChIKeyUOKABIKVAMGLIZ-UHFFFAOYSA-N
XLogP3.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

cyclopentyl 2-[4-(aminomethyl)phenyl]acetate
CID 174631265
2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
2-(3-aminophenyl)-N-cycloheptylacetamide
CID 28712073
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269
2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide
CID 65349877
cyclopropyl 2-phenylacetate
CID 135066962
(3-methylcyclohexyl) 3-(3-aminophenyl)propanoate
CID 80701584
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
(2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate
CID 62499377
cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate
CID 52537150
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate
CID 107913384
cyclopentyl 2-[(3-aminophenyl)methoxycarbonylamino]-3-phenylpropanoate
CID 67052665

Frequently Asked Questions

What is the IUPAC name of cycloheptyl 2-(3-aminophenyl)acetate?
The IUPAC name of cycloheptyl 2-(3-aminophenyl)acetate (CID 62499374) is cycloheptyl 2-(3-aminophenyl)acetate.
What is the SMILES notation for cycloheptyl 2-(3-aminophenyl)acetate?
The canonical SMILES for cycloheptyl 2-(3-aminophenyl)acetate is Nc1cccc(CC(=O)OC2CCCCCC2)c1.
What is the InChIKey of cycloheptyl 2-(3-aminophenyl)acetate?
The InChIKey is UOKABIKVAMGLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c16-13-7-5-6-12(10-13)11-15(17)18-14-8-3-1-2-4-9-14/h5-7,10,14H,1-4,8-9,11,16H2.
What are the key properties of cycloheptyl 2-(3-aminophenyl)acetate?
cycloheptyl 2-(3-aminophenyl)acetate has a molecular weight of 247.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl 2-(3-aminophenyl)acetate is sourced from PubChem (CID 62499374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).