1-(2-amino-5-ethylphenyl)-2-chloropropan-1-one

C11H14ClNO — CID 130983756

IUPAC1-(2-amino-5-ethylphenyl)-2-chloropropan-1-one
SMILESCCc1ccc(N)c(C(=O)C(C)Cl)c1
InChIInChI=1S/C11H14ClNO/c1-3-8-4-5-10(13)9(6-8)11(14)7(2)12/h4-7H,3,13H2,1-2H3
InChIKeyJQDABWKMYXNXOP-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.64
Rot. Bonds3

About 1-(2-amino-5-ethylphenyl)-2-chloropropan-1-one

1-(2-amino-5-ethylphenyl)-2-chloropropan-1-one (PubChem CID 130983756) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-(2-amino-5-ethylphenyl)-2-chloropropan-1-one.

Molecular Properties

Compound Name1-(2-amino-5-ethylphenyl)-2-chloropropan-1-one
PubChem CID130983756
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-(2-amino-5-ethylphenyl)-2-chloropropan-1-one
SMILESCCc1ccc(N)c(C(=O)C(C)Cl)c1
InChIInChI=1S/C11H14ClNO/c1-3-8-4-5-10(13)9(6-8)11(14)7(2)12/h4-7H,3,13H2,1-2H3
InChIKeyJQDABWKMYXNXOP-UHFFFAOYSA-N
XLogP2.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one
CID 82267769
2-chloro-1-[5-(chloromethyl)-2-methylphenyl]propan-1-one
CID 130822919
ethyl 2-[3-(2-chloropropanoyl)-4-methylphenyl]acetate
CID 134614851
1-(4-amino-3-methylphenyl)-2-chloropropan-1-one
CID 118832418
ethyl 5-amino-2-(2-chloropropanoyl)benzoate
CID 134644200
(2-amino-5-methylphenyl)-(2,5-diethylphenyl)methanone
CID 65456262
1-(2-amino-5-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 83987994
1-(3-amino-2-bromophenyl)-2-chloropropan-1-one
CID 118826655
2-methylpropyl 2-amino-5-[[4-amino-3-(2-methylpropoxycarbonyl)phenyl]methyl]benzoate
CID 101384332
ethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate
CID 139749939
1-[4-(bromomethyl)-2-ethoxyphenyl]-2-chloropropan-1-one
CID 131382999
(2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone
CID 59654986

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-ethylphenyl)-2-chloropropan-1-one?
The IUPAC name of 1-(2-amino-5-ethylphenyl)-2-chloropropan-1-one (CID 130983756) is 1-(2-amino-5-ethylphenyl)-2-chloropropan-1-one.
What is the SMILES notation for 1-(2-amino-5-ethylphenyl)-2-chloropropan-1-one?
The canonical SMILES for 1-(2-amino-5-ethylphenyl)-2-chloropropan-1-one is CCc1ccc(N)c(C(=O)C(C)Cl)c1.
What is the InChIKey of 1-(2-amino-5-ethylphenyl)-2-chloropropan-1-one?
The InChIKey is JQDABWKMYXNXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-8-4-5-10(13)9(6-8)11(14)7(2)12/h4-7H,3,13H2,1-2H3.
What are the key properties of 1-(2-amino-5-ethylphenyl)-2-chloropropan-1-one?
1-(2-amino-5-ethylphenyl)-2-chloropropan-1-one has a molecular weight of 211.69 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-ethylphenyl)-2-chloropropan-1-one is sourced from PubChem (CID 130983756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).