2-(4-bromo-3-chloro-2-fluorophenyl)-1-methoxypropan-2-amine

C10H12BrClFNO — CID 106761636

IUPAC2-(4-bromo-3-chloro-2-fluorophenyl)-1-methoxypropan-2-amine
SMILESCOCC(C)(N)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C10H12BrClFNO/c1-10(14,5-15-2)6-3-4-7(11)8(12)9(6)13/h3-4H,5,14H2,1-2H3
InChIKeyAQWBSTIIVSNHHY-UHFFFAOYSA-N
MW296.57 g/mol
LogP3.06
Rot. Bonds3

About 2-(4-bromo-3-chloro-2-fluorophenyl)-1-methoxypropan-2-amine

2-(4-bromo-3-chloro-2-fluorophenyl)-1-methoxypropan-2-amine (PubChem CID 106761636) has the molecular formula C10H12BrClFNO and a molecular weight of 296.57 g/mol. Its IUPAC name is 2-(4-bromo-3-chloro-2-fluorophenyl)-1-methoxypropan-2-amine.

Molecular Properties

Compound Name2-(4-bromo-3-chloro-2-fluorophenyl)-1-methoxypropan-2-amine
PubChem CID106761636
Molecular FormulaC10H12BrClFNO
Molecular Weight296.57 g/mol
Exact Mass294.98
IUPAC Name2-(4-bromo-3-chloro-2-fluorophenyl)-1-methoxypropan-2-amine
SMILESCOCC(C)(N)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C10H12BrClFNO/c1-10(14,5-15-2)6-3-4-7(11)8(12)9(6)13/h3-4H,5,14H2,1-2H3
InChIKeyAQWBSTIIVSNHHY-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.57
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chloro-2-fluorophenyl)-1-methoxypropan-2-amine?
The IUPAC name of 2-(4-bromo-3-chloro-2-fluorophenyl)-1-methoxypropan-2-amine (CID 106761636) is 2-(4-bromo-3-chloro-2-fluorophenyl)-1-methoxypropan-2-amine.
What is the SMILES notation for 2-(4-bromo-3-chloro-2-fluorophenyl)-1-methoxypropan-2-amine?
The canonical SMILES for 2-(4-bromo-3-chloro-2-fluorophenyl)-1-methoxypropan-2-amine is COCC(C)(N)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 2-(4-bromo-3-chloro-2-fluorophenyl)-1-methoxypropan-2-amine?
The InChIKey is AQWBSTIIVSNHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClFNO/c1-10(14,5-15-2)6-3-4-7(11)8(12)9(6)13/h3-4H,5,14H2,1-2H3.
What are the key properties of 2-(4-bromo-3-chloro-2-fluorophenyl)-1-methoxypropan-2-amine?
2-(4-bromo-3-chloro-2-fluorophenyl)-1-methoxypropan-2-amine has a molecular weight of 296.57 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 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-methoxypropan-2-amine is sourced from PubChem (CID 106761636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).