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

C17H19BrFN — CID 115839839

IUPAC1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
SMILESCc1ccc(C)c(CC(N)Cc2cc(Br)ccc2F)c1
InChIInChI=1S/C17H19BrFN/c1-11-3-4-12(2)13(7-11)9-16(20)10-14-8-15(18)5-6-17(14)19/h3-8,16H,9-10,20H2,1-2H3
InChIKeyBRMUKUPRMIZLQN-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.32
Rot. Bonds4

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

1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine (PubChem CID 115839839) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
PubChem CID115839839
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
SMILESCc1ccc(C)c(CC(N)Cc2cc(Br)ccc2F)c1
InChIInChI=1S/C17H19BrFN/c1-11-3-4-12(2)13(7-11)9-16(20)10-14-8-15(18)5-6-17(14)19/h3-8,16H,9-10,20H2,1-2H3
InChIKeyBRMUKUPRMIZLQN-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
CID 115802634
2-[2-(5-bromo-2-fluorophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 63544422
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115839770
1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115839093
2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 115839478
1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine
CID 63412312
1-(5-bromo-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115839557
1-(5-bromo-2-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 105131839
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115839764
2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115784822
1-(5-bromo-2-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374445
2-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 115839341

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine (CID 115839839) is 1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine is Cc1ccc(C)c(CC(N)Cc2cc(Br)ccc2F)c1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine?
The InChIKey is BRMUKUPRMIZLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-11-3-4-12(2)13(7-11)9-16(20)10-14-8-15(18)5-6-17(14)19/h3-8,16H,9-10,20H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine?
1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine has a molecular weight of 336.25 g/mol, XLogP of 4.32, 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-(2,5-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 115839839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).