2-amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol

C9H10BrClFNO — CID 84812511

IUPAC2-amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol
SMILESCC(N)C(O)c1cc(Br)c(Cl)cc1F
InChIInChI=1S/C9H10BrClFNO/c1-4(13)9(14)5-2-6(10)7(11)3-8(5)12/h2-4,9,14H,13H2,1H3
InChIKeyVHFZBGAMYIXIQP-UHFFFAOYSA-N
MW282.54 g/mol
LogP2.62
Rot. Bonds2

About 2-amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol

2-amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol (PubChem CID 84812511) has the molecular formula C9H10BrClFNO and a molecular weight of 282.54 g/mol. Its IUPAC name is 2-amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol
PubChem CID84812511
Molecular FormulaC9H10BrClFNO
Molecular Weight282.54 g/mol
Exact Mass280.96
IUPAC Name2-amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol
SMILESCC(N)C(O)c1cc(Br)c(Cl)cc1F
InChIInChI=1S/C9H10BrClFNO/c1-4(13)9(14)5-2-6(10)7(11)3-8(5)12/h2-4,9,14H,13H2,1H3
InChIKeyVHFZBGAMYIXIQP-UHFFFAOYSA-N
XLogP2.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.54
LogP ≤ 52.62
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

1-(4-bromo-5-chloro-2-fluorophenyl)-2-methylpentan-1-ol
CID 105399458
1-(5-bromo-4-chloro-2-methylphenyl)ethanamine
CID 84803604
(1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol
CID 130649240
2-amino-2-(5-bromo-2-chloro-4-fluorophenyl)ethanol
CID 84712247
2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol
CID 164658455
1-bromo-2-chloro-4,5-difluorobenzene
CID 2773255
(1S)-1-(4-chloro-2-fluoro-5-methylphenyl)ethanamine
CID 55255941
2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol
CID 84796743
(4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 105398601
(1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol
CID 58572415
3-bicyclo[3.1.0]hexanyl-(4-bromo-5-chloro-2-fluorophenyl)methanol
CID 105399358
(1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol
CID 131356033

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol?
The IUPAC name of 2-amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol (CID 84812511) is 2-amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol is CC(N)C(O)c1cc(Br)c(Cl)cc1F.
What is the InChIKey of 2-amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol?
The InChIKey is VHFZBGAMYIXIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClFNO/c1-4(13)9(14)5-2-6(10)7(11)3-8(5)12/h2-4,9,14H,13H2,1H3.
What are the key properties of 2-amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol?
2-amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol has a molecular weight of 282.54 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 84812511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).