2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine

C16H17BrFN — CID 62516727

IUPAC2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)c1cc(C)ccc1F
InChIInChI=1S/C16H17BrFN/c1-11-6-7-15(18)14(8-11)16(19-2)10-12-4-3-5-13(17)9-12/h3-9,16,19H,10H2,1-2H3
InChIKeyITMKKBOXTLMVMD-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.40
Rot. Bonds4

About 2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine

2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine (PubChem CID 62516727) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
PubChem CID62516727
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)c1cc(C)ccc1F
InChIInChI=1S/C16H17BrFN/c1-11-6-7-15(18)14(8-11)16(19-2)10-12-4-3-5-13(17)9-12/h3-9,16,19H,10H2,1-2H3
InChIKeyITMKKBOXTLMVMD-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 63527945
1-(2-bromo-3,4-difluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 107539107
2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55188147
2-(3-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylethanamine
CID 81045128
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 55185855
1-(2-bromophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 55185666
1-(2-fluoro-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105143233
2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63413364
1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 60818684
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064541
N-[1-(2-fluoro-5-methylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63415224

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine (CID 62516727) is 2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine is CNC(Cc1cccc(Br)c1)c1cc(C)ccc1F.
What is the InChIKey of 2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine?
The InChIKey is ITMKKBOXTLMVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-11-6-7-15(18)14(8-11)16(19-2)10-12-4-3-5-13(17)9-12/h3-9,16,19H,10H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine?
2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine has a molecular weight of 322.22 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 62516727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).