1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine

C16H17BrFNO — CID 43481879

IUPAC1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H17BrFNO/c1-3-20-13-7-4-11(5-8-13)16(19-2)14-9-6-12(17)10-15(14)18/h4-10,16,19H,3H2,1-2H3
InChIKeyCSFGOAYETJVBNR-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.30
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine

1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine (PubChem CID 43481879) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
PubChem CID43481879
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H17BrFNO/c1-3-20-13-7-4-11(5-8-13)16(19-2)14-9-6-12(17)10-15(14)18/h4-10,16,19H,3H2,1-2H3
InChIKeyCSFGOAYETJVBNR-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481853
4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-fluorobenzene
CID 55200086
1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43481266
1-(2-bromo-4-methoxyphenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 60786122
6-[4-[(S)-(4-bromophenyl)-(methylamino)methyl]-3-fluorophenoxy]-N-methylhexan-1-amine
CID 138741073
N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 43489424
1-(4-bromo-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480168
1-(4-bromo-2-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 114906490
1-(3-bromo-4-ethoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 104657460
1-(4-bromo-2-fluorophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114906456
1-(5-bromo-2-ethoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 43487331
1-(4-ethoxyphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990532

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine (CID 43481879) is 1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine is CCOc1ccc(C(NC)c2ccc(Br)cc2F)cc1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is CSFGOAYETJVBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-3-20-13-7-4-11(5-8-13)16(19-2)14-9-6-12(17)10-15(14)18/h4-10,16,19H,3H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine?
1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 338.22 g/mol, XLogP of 4.30, 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-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 43481879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).