1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine

C15H14BrClFNO — CID 105131753

IUPAC1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine
SMILESNC(COc1ccc(Cl)cc1)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H14BrClFNO/c16-11-1-6-15(18)10(7-11)8-13(19)9-20-14-4-2-12(17)3-5-14/h1-7,13H,8-9,19H2
InChIKeyUHOZDHXYCXABFR-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.19
Rot. Bonds5

About 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine

1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine (PubChem CID 105131753) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine
PubChem CID105131753
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine
SMILESNC(COc1ccc(Cl)cc1)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H14BrClFNO/c16-11-1-6-15(18)10(7-11)8-13(19)9-20-14-4-2-12(17)3-5-14/h1-7,13H,8-9,19H2
InChIKeyUHOZDHXYCXABFR-UHFFFAOYSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenoxy)-3-(2-fluorophenyl)propan-2-amine
CID 105090089
1-(5-bromo-2-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 105131839
1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine
CID 63412312
1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214921
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine
CID 106867316
2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911
1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine
CID 105096248
1-(5-bromo-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115839557
1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115839093
1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine
CID 103048411
1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 105122004
1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105126618

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine (CID 105131753) is 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine is NC(COc1ccc(Cl)cc1)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine?
The InChIKey is UHOZDHXYCXABFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c16-11-1-6-15(18)10(7-11)8-13(19)9-20-14-4-2-12(17)3-5-14/h1-7,13H,8-9,19H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine?
1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine has a molecular weight of 358.64 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine is sourced from PubChem (CID 105131753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).