1-(2-amino-4-chlorophenyl)-2,2-dimethoxyethanone

C10H12ClNO3 — CID 21474024

IUPAC1-(2-amino-4-chlorophenyl)-2,2-dimethoxyethanone
SMILESCOC(OC)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H12ClNO3/c1-14-10(15-2)9(13)7-4-3-6(11)5-8(7)12/h3-5,10H,12H2,1-2H3
InChIKeyGOTYBYHZHLNYST-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.72
Rot. Bonds4

About 1-(2-amino-4-chlorophenyl)-2,2-dimethoxyethanone

1-(2-amino-4-chlorophenyl)-2,2-dimethoxyethanone (PubChem CID 21474024) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 1-(2-amino-4-chlorophenyl)-2,2-dimethoxyethanone.

Molecular Properties

Compound Name1-(2-amino-4-chlorophenyl)-2,2-dimethoxyethanone
PubChem CID21474024
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name1-(2-amino-4-chlorophenyl)-2,2-dimethoxyethanone
SMILESCOC(OC)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H12ClNO3/c1-14-10(15-2)9(13)7-4-3-6(11)5-8(7)12/h3-5,10H,12H2,1-2H3
InChIKeyGOTYBYHZHLNYST-UHFFFAOYSA-N
XLogP1.72
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(2-amino-4-chlorophenyl)propan-1-one
CID 105451868
bis(2-amino-4-chlorophenyl)methanone
CID 15130044
1-(2-amino-4,6-dichlorophenyl)-2,2-dimethoxyethanone
CID 21474021
1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone
CID 67942436
azanium 2-amino-4-chlorobenzoate
CID 23030471
2-amino-4-chloro-N-methylbenzohydrazide
CID 145125072
propyl 2-amino-4-chlorobenzoate
CID 28690133
2-amino-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81390777
2-amino-4-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 107624330
ethoxymethyl 2-amino-4-chlorobenzoate
CID 65369666
2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 61107492
1-(2-amino-4-chlorophenyl)-3-methylpentan-1-one
CID 64914013

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chlorophenyl)-2,2-dimethoxyethanone?
The IUPAC name of 1-(2-amino-4-chlorophenyl)-2,2-dimethoxyethanone (CID 21474024) is 1-(2-amino-4-chlorophenyl)-2,2-dimethoxyethanone.
What is the SMILES notation for 1-(2-amino-4-chlorophenyl)-2,2-dimethoxyethanone?
The canonical SMILES for 1-(2-amino-4-chlorophenyl)-2,2-dimethoxyethanone is COC(OC)C(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 1-(2-amino-4-chlorophenyl)-2,2-dimethoxyethanone?
The InChIKey is GOTYBYHZHLNYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-14-10(15-2)9(13)7-4-3-6(11)5-8(7)12/h3-5,10H,12H2,1-2H3.
What are the key properties of 1-(2-amino-4-chlorophenyl)-2,2-dimethoxyethanone?
1-(2-amino-4-chlorophenyl)-2,2-dimethoxyethanone has a molecular weight of 229.66 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chlorophenyl)-2,2-dimethoxyethanone is sourced from PubChem (CID 21474024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).