3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol

C12H16Cl2FNO — CID 65032240

IUPAC3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNC(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2FNO/c1-7(6-17)5-16-8(2)9-3-12(15)11(14)4-10(9)13/h3-4,7-8,16-17H,5-6H2,1-2H3
InChIKeyCWSMABYODAQIIC-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.41
Rot. Bonds5

About 3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol

3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol (PubChem CID 65032240) has the molecular formula C12H16Cl2FNO and a molecular weight of 280.17 g/mol. Its IUPAC name is 3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol
PubChem CID65032240
Molecular FormulaC12H16Cl2FNO
Molecular Weight280.17 g/mol
Exact Mass279.06
IUPAC Name3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNC(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2FNO/c1-7(6-17)5-16-8(2)9-3-12(15)11(14)4-10(9)13/h3-4,7-8,16-17H,5-6H2,1-2H3
InChIKeyCWSMABYODAQIIC-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]hexan-1-ol
CID 103787427
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]butan-1-ol
CID 106840626
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]prop-2-en-1-amine
CID 43231321
methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate
CID 43228865
2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 9377861
2-[1-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]cyclopropyl]ethanol
CID 114750621
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]octan-1-amine
CID 115566984
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]butanoic acid
CID 60782893
2-(2,4-dichloro-5-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 66438476
2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol
CID 103935669
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8639848
5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]pentanamide
CID 103529766

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol?
The IUPAC name of 3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol (CID 65032240) is 3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol is CC(CO)CNC(C)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol?
The InChIKey is CWSMABYODAQIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2FNO/c1-7(6-17)5-16-8(2)9-3-12(15)11(14)4-10(9)13/h3-4,7-8,16-17H,5-6H2,1-2H3.
What are the key properties of 3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol?
3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol has a molecular weight of 280.17 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 65032240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).