1-(2,4-dichloro-5-fluorophenyl)-N-ethoxyethanamine

C10H12Cl2FNO — CID 82709029

IUPAC1-(2,4-dichloro-5-fluorophenyl)-N-ethoxyethanamine
SMILESCCONC(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2FNO/c1-3-15-14-6(2)7-4-10(13)9(12)5-8(7)11/h4-6,14H,3H2,1-2H3
InChIKeyFSBMUVPZDIOHMK-UHFFFAOYSA-N
MW252.12 g/mol
LogP3.73
Rot. Bonds4

About 1-(2,4-dichloro-5-fluorophenyl)-N-ethoxyethanamine

1-(2,4-dichloro-5-fluorophenyl)-N-ethoxyethanamine (PubChem CID 82709029) has the molecular formula C10H12Cl2FNO and a molecular weight of 252.12 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-fluorophenyl)-N-ethoxyethanamine.

Molecular Properties

Compound Name1-(2,4-dichloro-5-fluorophenyl)-N-ethoxyethanamine
PubChem CID82709029
Molecular FormulaC10H12Cl2FNO
Molecular Weight252.12 g/mol
Exact Mass251.03
IUPAC Name1-(2,4-dichloro-5-fluorophenyl)-N-ethoxyethanamine
SMILESCCONC(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2FNO/c1-3-15-14-6(2)7-4-10(13)9(12)5-8(7)11/h4-6,14H,3H2,1-2H3
InChIKeyFSBMUVPZDIOHMK-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine
CID 83069552
1-(2,5-difluorophenyl)-N-ethoxyethanamine
CID 115282507
1-butan-2-yl-2,4-dichloro-5-fluorobenzene
CID 118487381
2-(2,4-dichloro-5-fluorophenyl)-4-methyl-N-propylpentan-3-amine
CID 79298947
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]octan-1-amine
CID 115566984
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]prop-2-en-1-amine
CID 43231321
2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol
CID 103935669
methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate
CID 43228865
2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide
CID 43226363
3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol
CID 65032240
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]butan-1-ol
CID 106840626
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide
CID 112799664

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-N-ethoxyethanamine?
The IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-N-ethoxyethanamine (CID 82709029) is 1-(2,4-dichloro-5-fluorophenyl)-N-ethoxyethanamine.
What is the SMILES notation for 1-(2,4-dichloro-5-fluorophenyl)-N-ethoxyethanamine?
The canonical SMILES for 1-(2,4-dichloro-5-fluorophenyl)-N-ethoxyethanamine is CCONC(C)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-fluorophenyl)-N-ethoxyethanamine?
The InChIKey is FSBMUVPZDIOHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2FNO/c1-3-15-14-6(2)7-4-10(13)9(12)5-8(7)11/h4-6,14H,3H2,1-2H3.
What are the key properties of 1-(2,4-dichloro-5-fluorophenyl)-N-ethoxyethanamine?
1-(2,4-dichloro-5-fluorophenyl)-N-ethoxyethanamine has a molecular weight of 252.12 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-fluorophenyl)-N-ethoxyethanamine is sourced from PubChem (CID 82709029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).