2-(2,4-dichloro-5-fluorophenyl)-N-propan-2-ylpropan-1-amine

C12H16Cl2FN — CID 66438476

IUPAC2-(2,4-dichloro-5-fluorophenyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2FN/c1-7(2)16-6-8(3)9-4-12(15)11(14)5-10(9)13/h4-5,7-8,16H,6H2,1-3H3
InChIKeyUOIZAHUTQFZCRV-UHFFFAOYSA-N
MW264.17 g/mol
LogP4.23
Rot. Bonds4

About 2-(2,4-dichloro-5-fluorophenyl)-N-propan-2-ylpropan-1-amine

2-(2,4-dichloro-5-fluorophenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 66438476) has the molecular formula C12H16Cl2FN and a molecular weight of 264.17 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-fluorophenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(2,4-dichloro-5-fluorophenyl)-N-propan-2-ylpropan-1-amine
PubChem CID66438476
Molecular FormulaC12H16Cl2FN
Molecular Weight264.17 g/mol
Exact Mass263.06
IUPAC Name2-(2,4-dichloro-5-fluorophenyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2FN/c1-7(2)16-6-8(3)9-4-12(15)11(14)5-10(9)13/h4-5,7-8,16H,6H2,1-3H3
InChIKeyUOIZAHUTQFZCRV-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,4-dichloro-5-fluorophenyl)-N-propan-2-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butan-2-yl-2,4-dichloro-5-fluorobenzene
CID 118487381
3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol
CID 65032240
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]prop-2-en-1-amine
CID 43231321
3-(2,4-dichloro-5-fluorophenyl)-N-propylbutan-2-amine
CID 66438321
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]butan-1-ol
CID 106840626
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]octan-1-amine
CID 115566984
2-(2,4-dichloro-5-fluorophenyl)-4-methyl-N-propylpentan-3-amine
CID 79298947
1-(2,4-dichloro-5-fluorophenyl)-N-ethoxyethanamine
CID 82709029
2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 9377861
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8639848
N-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine
CID 63450527
2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol
CID 103935669

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-N-propan-2-ylpropan-1-amine (CID 66438476) is 2-(2,4-dichloro-5-fluorophenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(2,4-dichloro-5-fluorophenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(2,4-dichloro-5-fluorophenyl)-N-propan-2-ylpropan-1-amine is CC(C)NCC(C)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-fluorophenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is UOIZAHUTQFZCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2FN/c1-7(2)16-6-8(3)9-4-12(15)11(14)5-10(9)13/h4-5,7-8,16H,6H2,1-3H3.
What are the key properties of 2-(2,4-dichloro-5-fluorophenyl)-N-propan-2-ylpropan-1-amine?
2-(2,4-dichloro-5-fluorophenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 264.17 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-fluorophenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 66438476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).