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

C15H13BrCl2FN — CID 63412312

IUPAC1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine
SMILESNC(Cc1cc(Br)ccc1F)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl2FN/c16-11-2-4-15(19)10(5-11)7-13(20)6-9-1-3-12(17)8-14(9)18/h1-5,8,13H,6-7,20H2
InChIKeyRUMHUBFZIPCPGF-UHFFFAOYSA-N
MW377.08 g/mol
LogP5.01
Rot. Bonds4

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

1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine (PubChem CID 63412312) has the molecular formula C15H13BrCl2FN and a molecular weight of 377.08 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine
PubChem CID63412312
Molecular FormulaC15H13BrCl2FN
Molecular Weight377.08 g/mol
Exact Mass374.96
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine
SMILESNC(Cc1cc(Br)ccc1F)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl2FN/c16-11-2-4-15(19)10(5-11)7-13(20)6-9-1-3-12(17)8-14(9)18/h1-5,8,13H,6-7,20H2
InChIKeyRUMHUBFZIPCPGF-UHFFFAOYSA-N
XLogP5.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.08
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine
CID 103048411
1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115839093
1-(5-bromo-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115839557
1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine
CID 66057272
1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine
CID 105131753
2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002
1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
CID 115839839
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine
CID 115839362
1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 107974357
1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 63420117

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine (CID 63412312) is 1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine is NC(Cc1cc(Br)ccc1F)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine?
The InChIKey is RUMHUBFZIPCPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2FN/c16-11-2-4-15(19)10(5-11)7-13(20)6-9-1-3-12(17)8-14(9)18/h1-5,8,13H,6-7,20H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine?
1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine has a molecular weight of 377.08 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine is sourced from PubChem (CID 63412312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).