1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine

C18H21BrFN — CID 43484043

IUPAC1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCNC(c1cc(F)ccc1Br)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C18H21BrFN/c1-10-8-11(2)13(4)17(12(10)3)18(21-5)15-9-14(20)6-7-16(15)19/h6-9,18,21H,1-5H3
InChIKeyACQWVKKKVNVQQY-UHFFFAOYSA-N
MW350.28 g/mol
LogP5.13
Rot. Bonds3

About 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine

1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine (PubChem CID 43484043) has the molecular formula C18H21BrFN and a molecular weight of 350.28 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine
PubChem CID43484043
Molecular FormulaC18H21BrFN
Molecular Weight350.28 g/mol
Exact Mass349.08
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCNC(c1cc(F)ccc1Br)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C18H21BrFN/c1-10-8-11(2)13(4)17(12(10)3)18(21-5)15-9-14(20)6-7-16(15)19/h6-9,18,21H,1-5H3
InChIKeyACQWVKKKVNVQQY-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.28
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877923
1-(2-bromo-5-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482821
1-(5-bromo-2-methylphenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 65308185
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 115855144
1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105397275
N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851922
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989956
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045169
1-(3-chloro-2-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 81267785
2-[bromo-(2-bromo-5-fluorophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879985
1-(2,5-dibromophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107515900
[(2-bromo-5-fluorophenyl)-(3,4-dimethylphenyl)methyl]hydrazine
CID 105300293

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine (CID 43484043) is 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine is CNC(c1cc(F)ccc1Br)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine?
The InChIKey is ACQWVKKKVNVQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN/c1-10-8-11(2)13(4)17(12(10)3)18(21-5)15-9-14(20)6-7-16(15)19/h6-9,18,21H,1-5H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine?
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine has a molecular weight of 350.28 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine is sourced from PubChem (CID 43484043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).