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

C16H17BrFN — CID 107953458

IUPAC1-(3-bromo-2-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
SMILESCCc1cccc(C(NC)c2cccc(Br)c2F)c1
InChIInChI=1S/C16H17BrFN/c1-3-11-6-4-7-12(10-11)16(19-2)13-8-5-9-14(17)15(13)18/h4-10,16,19H,3H2,1-2H3
InChIKeyMLCKMSSEAIFQKJ-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.46
Rot. Bonds4

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

1-(3-bromo-2-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine (PubChem CID 107953458) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
PubChem CID107953458
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name1-(3-bromo-2-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
SMILESCCc1cccc(C(NC)c2cccc(Br)c2F)c1
InChIInChI=1S/C16H17BrFN/c1-3-11-6-4-7-12(10-11)16(19-2)13-8-5-9-14(17)15(13)18/h4-10,16,19H,3H2,1-2H3
InChIKeyMLCKMSSEAIFQKJ-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-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018490
1-(3-bromo-2-fluorophenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 107950854
1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106645505
1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 116544137
1-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018436
1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 106647686
1-(4-chloro-2,5-difluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018615
1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine
CID 106645604
1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105171222
1-(2,4-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018513
1-(3,4-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018579
1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018696

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine (CID 107953458) is 1-(3-bromo-2-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine is CCc1cccc(C(NC)c2cccc(Br)c2F)c1.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine?
The InChIKey is MLCKMSSEAIFQKJ-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(17)15(13)18/h4-10,16,19H,3H2,1-2H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine?
1-(3-bromo-2-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-(3-bromo-2-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107953458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).