2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol

C12H16BrClFNO — CID 106763756

IUPAC2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C12H16BrClFNO/c1-3-6-16-7-12(2,17)8-4-5-9(13)10(14)11(8)15/h4-5,16-17H,3,6-7H2,1-2H3
InChIKeyDKLMXJWGNSQOTL-UHFFFAOYSA-N
MW324.62 g/mol
LogP3.45
Rot. Bonds5

About 2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol

2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol (PubChem CID 106763756) has the molecular formula C12H16BrClFNO and a molecular weight of 324.62 g/mol. Its IUPAC name is 2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol
PubChem CID106763756
Molecular FormulaC12H16BrClFNO
Molecular Weight324.62 g/mol
Exact Mass323.01
IUPAC Name2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C12H16BrClFNO/c1-3-6-16-7-12(2,17)8-4-5-9(13)10(14)11(8)15/h4-5,16-17H,3,6-7H2,1-2H3
InChIKeyDKLMXJWGNSQOTL-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.62
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol 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

2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol
CID 104739354
3-(4-bromo-3-chloro-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine
CID 106763830
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 106761227
1-bromo-2-chloro-4-(4-chloro-2-methylpentan-2-yl)-3-fluorobenzene
CID 106763531
2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol
CID 106761419
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-bromo-2-chlorophenyl)ethanol
CID 106761513
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol
CID 106761585
2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 82973789
N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 167530134
(4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol
CID 112743426
2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol
CID 106943818
2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
CID 106761676

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol?
The IUPAC name of 2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol (CID 106763756) is 2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol?
The canonical SMILES for 2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol is CCCNCC(C)(O)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol?
The InChIKey is DKLMXJWGNSQOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClFNO/c1-3-6-16-7-12(2,17)8-4-5-9(13)10(14)11(8)15/h4-5,16-17H,3,6-7H2,1-2H3.
What are the key properties of 2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol?
2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol has a molecular weight of 324.62 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol is sourced from PubChem (CID 106763756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).