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

C13H18ClNO2 — CID 112512675

IUPAC1-(3-chloro-4-ethoxyphenyl)-2-(ethylamino)propan-1-one
SMILESCCNC(C)C(=O)c1ccc(OCC)c(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-4-15-9(3)13(16)10-6-7-12(17-5-2)11(14)8-10/h6-9,15H,4-5H2,1-3H3
InChIKeyHMGWYEPITDURIB-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.92
Rot. Bonds6

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

1-(3-chloro-4-ethoxyphenyl)-2-(ethylamino)propan-1-one (PubChem CID 112512675) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 1-(3-chloro-4-ethoxyphenyl)-2-(ethylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-chloro-4-ethoxyphenyl)-2-(ethylamino)propan-1-one
PubChem CID112512675
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name1-(3-chloro-4-ethoxyphenyl)-2-(ethylamino)propan-1-one
SMILESCCNC(C)C(=O)c1ccc(OCC)c(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-4-15-9(3)13(16)10-6-7-12(17-5-2)11(14)8-10/h6-9,15H,4-5H2,1-3H3
InChIKeyHMGWYEPITDURIB-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide
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3-chloro-4-ethoxybenzoate
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methanamine;methyl 3-chloro-4-ethoxybenzoate
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1-(3-chloro-4-ethoxyphenyl)propane-1,2-dione
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1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride
CID 131851401
1-(3,4-dichlorophenyl)-2-(propylamino)propan-1-one
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ethyl 2-(3-chloro-4-ethoxyphenyl)-2-oxoacetate
CID 91634042
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 133256897
1-(3-bromo-4-ethoxyphenyl)-2-methylpropan-1-one
CID 104656822
(E)-3-(3-chloro-4-ethoxyphenyl)but-2-enoic acid
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2-(butylamino)-1-(3,4-dichlorophenyl)propan-1-one
CID 82100709

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-ethoxyphenyl)-2-(ethylamino)propan-1-one?
The IUPAC name of 1-(3-chloro-4-ethoxyphenyl)-2-(ethylamino)propan-1-one (CID 112512675) is 1-(3-chloro-4-ethoxyphenyl)-2-(ethylamino)propan-1-one.
What is the SMILES notation for 1-(3-chloro-4-ethoxyphenyl)-2-(ethylamino)propan-1-one?
The canonical SMILES for 1-(3-chloro-4-ethoxyphenyl)-2-(ethylamino)propan-1-one is CCNC(C)C(=O)c1ccc(OCC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-ethoxyphenyl)-2-(ethylamino)propan-1-one?
The InChIKey is HMGWYEPITDURIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-4-15-9(3)13(16)10-6-7-12(17-5-2)11(14)8-10/h6-9,15H,4-5H2,1-3H3.
What are the key properties of 1-(3-chloro-4-ethoxyphenyl)-2-(ethylamino)propan-1-one?
1-(3-chloro-4-ethoxyphenyl)-2-(ethylamino)propan-1-one has a molecular weight of 255.74 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-ethoxyphenyl)-2-(ethylamino)propan-1-one is sourced from PubChem (CID 112512675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).