1-(4-bromo-2,6-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine

C16H16BrF2NO — CID 105022348

IUPAC1-(4-bromo-2,6-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1cccc(C(NC)c2c(F)cc(Br)cc2F)c1
InChIInChI=1S/C16H16BrF2NO/c1-3-21-12-6-4-5-10(7-12)16(20-2)15-13(18)8-11(17)9-14(15)19/h4-9,16,20H,3H2,1-2H3
InChIKeyXPWHLUYLPMVAGU-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.43
Rot. Bonds5

About 1-(4-bromo-2,6-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine

1-(4-bromo-2,6-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine (PubChem CID 105022348) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
PubChem CID105022348
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1cccc(C(NC)c2c(F)cc(Br)cc2F)c1
InChIInChI=1S/C16H16BrF2NO/c1-3-21-12-6-4-5-10(7-12)16(20-2)15-13(18)8-11(17)9-14(15)19/h4-9,16,20H,3H2,1-2H3
InChIKeyXPWHLUYLPMVAGU-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2,6-difluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 115785773
1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022189
1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 60864424
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 106762224
1-(4-bromo-2-methoxyphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022233
1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022211
1-(2-bromo-4-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022239
1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 62790676
[(4-bromo-2,6-difluorophenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283689
1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 60819656
(4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 114906102
1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105022424

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine (CID 105022348) is 1-(4-bromo-2,6-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine is CCOc1cccc(C(NC)c2c(F)cc(Br)cc2F)c1.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is XPWHLUYLPMVAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-3-21-12-6-4-5-10(7-12)16(20-2)15-13(18)8-11(17)9-14(15)19/h4-9,16,20H,3H2,1-2H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
1-(4-bromo-2,6-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 356.21 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105022348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).