1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine

C16H17BrFN — CID 105018490

IUPAC1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
SMILESCCc1cccc(C(NC)c2cccc(F)c2Br)c1
InChIInChI=1S/C16H17BrFN/c1-3-11-6-4-7-12(10-11)16(19-2)13-8-5-9-14(18)15(13)17/h4-10,16,19H,3H2,1-2H3
InChIKeyYJACCOUWFIEBLC-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.46
Rot. Bonds4

About 1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine

1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine (PubChem CID 105018490) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
PubChem CID105018490
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
SMILESCCc1cccc(C(NC)c2cccc(F)c2Br)c1
InChIInChI=1S/C16H17BrFN/c1-3-11-6-4-7-12(10-11)16(19-2)13-8-5-9-14(18)15(13)17/h4-10,16,19H,3H2,1-2H3
InChIKeyYJACCOUWFIEBLC-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 107953458
1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 115811322
1-(4-chloro-2,5-difluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018615
1-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018436
1-(2-bromo-3-fluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 81499776
1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544288
[(2-bromo-3-fluorophenyl)-(4-ethylphenyl)methyl]hydrazine
CID 105292836
1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105171222
1-(2,4-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018513
1-(3-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 105018455
1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 116544137
[(5-bromo-2-fluorophenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105280590

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine (CID 105018490) is 1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine is CCc1cccc(C(NC)c2cccc(F)c2Br)c1.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine?
The InChIKey is YJACCOUWFIEBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-3-11-6-4-7-12(10-11)16(19-2)13-8-5-9-14(18)15(13)17/h4-10,16,19H,3H2,1-2H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine?
1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine has a molecular weight of 322.22 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105018490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).