(3-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

C15H20ClNO2 — CID 114624557

IUPAC(3-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCC1(C)CC(C(=O)c2ccc(Cl)c(N)c2)C(C)(C)O1
InChIInChI=1S/C15H20ClNO2/c1-14(2)8-10(15(3,4)19-14)13(18)9-5-6-11(16)12(17)7-9/h5-7,10H,8,17H2,1-4H3
InChIKeyHVWHQWXUEFWCED-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.70
Rot. Bonds2

About (3-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

(3-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (PubChem CID 114624557) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (3-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
PubChem CID114624557
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(3-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCC1(C)CC(C(=O)c2ccc(Cl)c(N)c2)C(C)(C)O1
InChIInChI=1S/C15H20ClNO2/c1-14(2)8-10(15(3,4)19-14)13(18)9-5-6-11(16)12(17)7-9/h5-7,10H,8,17H2,1-4H3
InChIKeyHVWHQWXUEFWCED-UHFFFAOYSA-N
XLogP3.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The IUPAC name of (3-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (CID 114624557) is (3-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.
What is the SMILES notation for (3-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The canonical SMILES for (3-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is CC1(C)CC(C(=O)c2ccc(Cl)c(N)c2)C(C)(C)O1.
What is the InChIKey of (3-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The InChIKey is HVWHQWXUEFWCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-14(2)8-10(15(3,4)19-14)13(18)9-5-6-11(16)12(17)7-9/h5-7,10H,8,17H2,1-4H3.
What are the key properties of (3-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
(3-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone has a molecular weight of 281.78 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is sourced from PubChem (CID 114624557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).