1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one

C14H20ClNO2 — CID 82100415

IUPAC1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one
SMILESCCOCCCNC(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-3-18-10-4-9-16-11(2)14(17)12-5-7-13(15)8-6-12/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeyFSAOHTOUGAEHPN-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.93
Rot. Bonds8

About 1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one

1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one (PubChem CID 82100415) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one
PubChem CID82100415
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one
SMILESCCOCCCNC(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-3-18-10-4-9-16-11(2)14(17)12-5-7-13(15)8-6-12/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeyFSAOHTOUGAEHPN-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one
CID 82100764
1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride
CID 131851401
1-(4-chlorophenyl)-2-(3-methylbutylamino)propan-1-one
CID 82100428
1-(2,4-dimethylphenyl)-2-(3-ethoxypropylamino)propan-1-one
CID 82100560
1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone
CID 82101457
2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82258026
1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one
CID 82100724
N-[1-(2,5-dichlorophenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196158
2-(butylamino)-1-(3,4-dichlorophenyl)propan-1-one
CID 82100709
2-(3-ethoxypropylamino)-N,N-dimethylpropanamide
CID 43086240
N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide
CID 21369940
2-(2-butoxyethoxy)-1-(4-chlorophenyl)propan-1-one
CID 43800190

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one (CID 82100415) is 1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one is CCOCCCNC(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one?
The InChIKey is FSAOHTOUGAEHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-3-18-10-4-9-16-11(2)14(17)12-5-7-13(15)8-6-12/h5-8,11,16H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one?
1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one has a molecular weight of 269.77 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one is sourced from PubChem (CID 82100415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).