1-(3-chlorophenyl)-3-[2-ethoxyethyl(methyl)amino]propan-1-one

C14H20ClNO2 — CID 81073777

IUPAC1-(3-chlorophenyl)-3-[2-ethoxyethyl(methyl)amino]propan-1-one
SMILESCCOCCN(C)CCC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-3-18-10-9-16(2)8-7-14(17)12-5-4-6-13(15)11-12/h4-6,11H,3,7-10H2,1-2H3
InChIKeyNFHNYGNDAWKROK-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.88
Rot. Bonds8

About 1-(3-chlorophenyl)-3-[2-ethoxyethyl(methyl)amino]propan-1-one

1-(3-chlorophenyl)-3-[2-ethoxyethyl(methyl)amino]propan-1-one (PubChem CID 81073777) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-ethoxyethyl(methyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-ethoxyethyl(methyl)amino]propan-1-one
PubChem CID81073777
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(3-chlorophenyl)-3-[2-ethoxyethyl(methyl)amino]propan-1-one
SMILESCCOCCN(C)CCC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-3-18-10-9-16(2)8-7-14(17)12-5-4-6-13(15)11-12/h4-6,11H,3,7-10H2,1-2H3
InChIKeyNFHNYGNDAWKROK-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 81058005
1-(3-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62629516
1-(3-chlorophenyl)-3-[propan-2-yl(propyl)amino]propan-1-one
CID 62630366
1-(3-chlorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-one
CID 62629534
1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one
CID 62631217
1-(3-chlorophenyl)-3-(4-fluoro-N-methylanilino)propan-1-one
CID 62629866
1-(3-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-1-one
CID 112664545
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
1-(3-chlorophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one
CID 62628661
1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl-methylamino]propan-1-one
CID 63700510
1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428684
1-(4-chlorophenyl)-3-ethoxypropan-1-one
CID 115601476

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-ethoxyethyl(methyl)amino]propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-ethoxyethyl(methyl)amino]propan-1-one (CID 81073777) is 1-(3-chlorophenyl)-3-[2-ethoxyethyl(methyl)amino]propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-ethoxyethyl(methyl)amino]propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-ethoxyethyl(methyl)amino]propan-1-one is CCOCCN(C)CCC(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-ethoxyethyl(methyl)amino]propan-1-one?
The InChIKey is NFHNYGNDAWKROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-3-18-10-9-16(2)8-7-14(17)12-5-4-6-13(15)11-12/h4-6,11H,3,7-10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-[2-ethoxyethyl(methyl)amino]propan-1-one?
1-(3-chlorophenyl)-3-[2-ethoxyethyl(methyl)amino]propan-1-one has a molecular weight of 269.77 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-ethoxyethyl(methyl)amino]propan-1-one is sourced from PubChem (CID 81073777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).