3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine

C17H19BrFN — CID 79416745

IUPAC3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
SMILESCNCC(Cc1cc(F)ccc1Br)c1cccc(C)c1
InChIInChI=1S/C17H19BrFN/c1-12-4-3-5-13(8-12)15(11-20-2)9-14-10-16(19)6-7-17(14)18/h3-8,10,15,20H,9,11H2,1-2H3
InChIKeyOLQBYIUWYZVCMK-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.44
Rot. Bonds5

About 3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine

3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine (PubChem CID 79416745) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
PubChem CID79416745
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
SMILESCNCC(Cc1cc(F)ccc1Br)c1cccc(C)c1
InChIInChI=1S/C17H19BrFN/c1-12-4-3-5-13(8-12)15(11-20-2)9-14-10-16(19)6-7-17(14)18/h3-8,10,15,20H,9,11H2,1-2H3
InChIKeyOLQBYIUWYZVCMK-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422309
3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79416738
3-(2-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416750
3-(2-chloro-4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416930
3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417911
2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79443064
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81360440
3-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79440147
3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417287
2-(2-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 115843550
3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 79422919
2-[(2-bromo-5-fluorophenyl)methyl]-N-methylbutan-1-amine
CID 62530745

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine (CID 79416745) is 3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine is CNCC(Cc1cc(F)ccc1Br)c1cccc(C)c1.
What is the InChIKey of 3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine?
The InChIKey is OLQBYIUWYZVCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-12-4-3-5-13(8-12)15(11-20-2)9-14-10-16(19)6-7-17(14)18/h3-8,10,15,20H,9,11H2,1-2H3.
What are the key properties of 3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine?
3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine has a molecular weight of 336.25 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 79416745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).