1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone

C16H15Cl2NO — CID 116577372

IUPAC1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone
SMILESNCCc1ccccc1C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl2NO/c17-14-6-3-7-15(18)13(14)10-16(20)12-5-2-1-4-11(12)8-9-19/h1-7H,8-10,19H2
InChIKeyPNCMAHNQXCSWMN-UHFFFAOYSA-N
MW308.21 g/mol
LogP3.92
Rot. Bonds5

About 1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone

1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone (PubChem CID 116577372) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone
PubChem CID116577372
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone
SMILESNCCc1ccccc1C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl2NO/c17-14-6-3-7-15(18)13(14)10-16(20)12-5-2-1-4-11(12)8-9-19/h1-7H,8-10,19H2
InChIKeyPNCMAHNQXCSWMN-UHFFFAOYSA-N
XLogP3.92
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenyl)-1-(2-fluorophenyl)ethanone
CID 62500601
2-(2-aminoethyl)-N-(2,6-dichlorophenyl)benzamide
CID 65467630
1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622133
1-[2-(2-aminoethyl)phenyl]butan-1-one
CID 116577371
1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone
CID 116577493
1-[2-(2-aminoethyl)phenyl]-2-methoxyethanone
CID 116577397
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 63411340
1-[2-(2-aminoethyl)phenyl]ethanone;ethane
CID 145089346
1-[2-(2-aminoethyl)-6-chlorophenyl]ethanone
CID 57156270
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 106644761

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone?
The IUPAC name of 1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone (CID 116577372) is 1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone.
What is the SMILES notation for 1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone?
The canonical SMILES for 1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone is NCCc1ccccc1C(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone?
The InChIKey is PNCMAHNQXCSWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c17-14-6-3-7-15(18)13(14)10-16(20)12-5-2-1-4-11(12)8-9-19/h1-7H,8-10,19H2.
What are the key properties of 1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone?
1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone has a molecular weight of 308.21 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone is sourced from PubChem (CID 116577372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).