1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one

C11H14ClNO2 — CID 116859678

IUPAC1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one
SMILESCCOc1ccc(C(N)C(C)=O)cc1Cl
InChIInChI=1S/C11H14ClNO2/c1-3-15-10-5-4-8(6-9(10)12)11(13)7(2)14/h4-6,11H,3,13H2,1-2H3
InChIKeyYTTDTBBUGAEHPH-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.33
Rot. Bonds4

About 1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one

1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one (PubChem CID 116859678) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one
PubChem CID116859678
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one
SMILESCCOc1ccc(C(N)C(C)=O)cc1Cl
InChIInChI=1S/C11H14ClNO2/c1-3-15-10-5-4-8(6-9(10)12)11(13)7(2)14/h4-6,11H,3,13H2,1-2H3
InChIKeyYTTDTBBUGAEHPH-UHFFFAOYSA-N
XLogP2.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one
CID 116859676
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid
CID 82296775
(3-chloro-4-ethoxyphenyl)-methoxymethanamine
CID 116947279
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
1-(3-chloro-4-ethoxyphenyl)propan-1-ol
CID 82629836
2-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116938610
2-(3-chloro-4-ethoxyphenyl)butan-1-ol
CID 116964115
5-(3-chloro-4-ethoxyphenyl)-5-(methylamino)pentan-2-one
CID 116956177
ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate
CID 116947153
1-(3-chloro-4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 116934896
1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine
CID 116947040

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one?
The IUPAC name of 1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one (CID 116859678) is 1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one.
What is the SMILES notation for 1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one?
The canonical SMILES for 1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one is CCOc1ccc(C(N)C(C)=O)cc1Cl.
What is the InChIKey of 1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one?
The InChIKey is YTTDTBBUGAEHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-3-15-10-5-4-8(6-9(10)12)11(13)7(2)14/h4-6,11H,3,13H2,1-2H3.
What are the key properties of 1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one?
1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one has a molecular weight of 227.69 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one is sourced from PubChem (CID 116859678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).