1-[3-(3-bromo-2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine

C15H15BrFN — CID 106646455

IUPAC1-[3-(3-bromo-2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(C)c(-c2cccc(Br)c2F)c1
InChIInChI=1S/C15H15BrFN/c1-10-6-7-11(9-18-2)8-13(10)12-4-3-5-14(16)15(12)17/h3-8,18H,9H2,1-2H3
InChIKeyPOKYRBSFFHYVCS-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.28
Rot. Bonds3

About 1-[3-(3-bromo-2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine

1-[3-(3-bromo-2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine (PubChem CID 106646455) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 1-[3-(3-bromo-2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-bromo-2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
PubChem CID106646455
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name1-[3-(3-bromo-2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(C)c(-c2cccc(Br)c2F)c1
InChIInChI=1S/C15H15BrFN/c1-10-6-7-11(9-18-2)8-13(10)12-4-3-5-14(16)15(12)17/h3-8,18H,9H2,1-2H3
InChIKeyPOKYRBSFFHYVCS-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
CID 105408607
N-methyl-1-(4-methyl-3-naphthalen-1-ylphenyl)methanamine
CID 105408323
1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105410107
1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 54911947
N-[[3-(2,3-difluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408883
N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105409340
N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine
CID 105409508
1-[3-(2-chloro-4,5-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105410126
N-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine
CID 105409446
1-[3-(4-chloronaphthalen-1-yl)-4-methylphenyl]-N-methylmethanamine
CID 105410094
N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 107514165
1-[3-(2-methoxy-3,4-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine
CID 103434169

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromo-2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-bromo-2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine (CID 106646455) is 1-[3-(3-bromo-2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-bromo-2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-bromo-2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine is CNCc1ccc(C)c(-c2cccc(Br)c2F)c1.
What is the InChIKey of 1-[3-(3-bromo-2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine?
The InChIKey is POKYRBSFFHYVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-10-6-7-11(9-18-2)8-13(10)12-4-3-5-14(16)15(12)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 1-[3-(3-bromo-2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine?
1-[3-(3-bromo-2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine has a molecular weight of 308.19 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromo-2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 106646455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).