1-(2-amino-6-phenylmethoxyphenyl)-2-chloroethanone

C15H14ClNO2 — CID 86153256

IUPAC1-(2-amino-6-phenylmethoxyphenyl)-2-chloroethanone
SMILESNc1cccc(OCc2ccccc2)c1C(=O)CCl
InChIInChI=1S/C15H14ClNO2/c16-9-13(18)15-12(17)7-4-8-14(15)19-10-11-5-2-1-3-6-11/h1-8H,9-10,17H2
InChIKeyADHHUIFTDGLVNM-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.27
Rot. Bonds5

About 1-(2-amino-6-phenylmethoxyphenyl)-2-chloroethanone

1-(2-amino-6-phenylmethoxyphenyl)-2-chloroethanone (PubChem CID 86153256) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(2-amino-6-phenylmethoxyphenyl)-2-chloroethanone.

Molecular Properties

Compound Name1-(2-amino-6-phenylmethoxyphenyl)-2-chloroethanone
PubChem CID86153256
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name1-(2-amino-6-phenylmethoxyphenyl)-2-chloroethanone
SMILESNc1cccc(OCc2ccccc2)c1C(=O)CCl
InChIInChI=1S/C15H14ClNO2/c16-9-13(18)15-12(17)7-4-8-14(15)19-10-11-5-2-1-3-6-11/h1-8H,9-10,17H2
InChIKeyADHHUIFTDGLVNM-UHFFFAOYSA-N
XLogP3.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-phenylmethoxyphenyl)-2-chloroethanone?
The IUPAC name of 1-(2-amino-6-phenylmethoxyphenyl)-2-chloroethanone (CID 86153256) is 1-(2-amino-6-phenylmethoxyphenyl)-2-chloroethanone.
What is the SMILES notation for 1-(2-amino-6-phenylmethoxyphenyl)-2-chloroethanone?
The canonical SMILES for 1-(2-amino-6-phenylmethoxyphenyl)-2-chloroethanone is Nc1cccc(OCc2ccccc2)c1C(=O)CCl.
What is the InChIKey of 1-(2-amino-6-phenylmethoxyphenyl)-2-chloroethanone?
The InChIKey is ADHHUIFTDGLVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-9-13(18)15-12(17)7-4-8-14(15)19-10-11-5-2-1-3-6-11/h1-8H,9-10,17H2.
What are the key properties of 1-(2-amino-6-phenylmethoxyphenyl)-2-chloroethanone?
1-(2-amino-6-phenylmethoxyphenyl)-2-chloroethanone has a molecular weight of 275.74 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-phenylmethoxyphenyl)-2-chloroethanone is sourced from PubChem (CID 86153256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).