1-[2-(2-aminoethyl)-6-chlorophenyl]ethanone

C10H12ClNO — CID 57156270

IUPAC1-[2-(2-aminoethyl)-6-chlorophenyl]ethanone
SMILESCC(=O)c1c(Cl)cccc1CCN
InChIInChI=1S/C10H12ClNO/c1-7(13)10-8(5-6-12)3-2-4-9(10)11/h2-4H,5-6,12H2,1H3
InChIKeyCIRJNHNUKXANHR-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.04
Rot. Bonds3

About 1-[2-(2-aminoethyl)-6-chlorophenyl]ethanone

1-[2-(2-aminoethyl)-6-chlorophenyl]ethanone (PubChem CID 57156270) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)-6-chlorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)-6-chlorophenyl]ethanone
PubChem CID57156270
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name1-[2-(2-aminoethyl)-6-chlorophenyl]ethanone
SMILESCC(=O)c1c(Cl)cccc1CCN
InChIInChI=1S/C10H12ClNO/c1-7(13)10-8(5-6-12)3-2-4-9(10)11/h2-4H,5-6,12H2,1H3
InChIKeyCIRJNHNUKXANHR-UHFFFAOYSA-N
XLogP2.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-6-(iodomethyl)phenyl]ethanone
CID 89224717
1-[2-(2-aminoethyl)phenyl]ethanone;ethane
CID 145089346
1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone
CID 116577372
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide
CID 112615054
2-(2-aminoethyl)-N-(2,6-dichlorophenyl)benzamide
CID 65467630
1-[2-(2-aminoethyl)-6-methoxyphenyl]-2,2,2-trifluoroethanone
CID 140595900
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
1-(2,6-diethylphenyl)ethanone
CID 14939611
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide
CID 112615081
acetic acid;2-amino-6-chlorobenzoic acid
CID 175066849
1-chloro-3-ethyl-2-prop-1-en-2-ylbenzene
CID 143310954

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)-6-chlorophenyl]ethanone?
The IUPAC name of 1-[2-(2-aminoethyl)-6-chlorophenyl]ethanone (CID 57156270) is 1-[2-(2-aminoethyl)-6-chlorophenyl]ethanone.
What is the SMILES notation for 1-[2-(2-aminoethyl)-6-chlorophenyl]ethanone?
The canonical SMILES for 1-[2-(2-aminoethyl)-6-chlorophenyl]ethanone is CC(=O)c1c(Cl)cccc1CCN.
What is the InChIKey of 1-[2-(2-aminoethyl)-6-chlorophenyl]ethanone?
The InChIKey is CIRJNHNUKXANHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-7(13)10-8(5-6-12)3-2-4-9(10)11/h2-4H,5-6,12H2,1H3.
What are the key properties of 1-[2-(2-aminoethyl)-6-chlorophenyl]ethanone?
1-[2-(2-aminoethyl)-6-chlorophenyl]ethanone has a molecular weight of 197.67 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)-6-chlorophenyl]ethanone is sourced from PubChem (CID 57156270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).