1-(2-bromo-3-fluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine

C17H19BrFNO — CID 81499776

IUPAC1-(2-bromo-3-fluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
SMILESCNC(c1ccc(CCOC)cc1)c1cccc(F)c1Br
InChIInChI=1S/C17H19BrFNO/c1-20-17(14-4-3-5-15(19)16(14)18)13-8-6-12(7-9-13)10-11-21-2/h3-9,17,20H,10-11H2,1-2H3
InChIKeyHQABBZHVJAIEIW-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.09
Rot. Bonds6

About 1-(2-bromo-3-fluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine

1-(2-bromo-3-fluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine (PubChem CID 81499776) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
PubChem CID81499776
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name1-(2-bromo-3-fluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
SMILESCNC(c1ccc(CCOC)cc1)c1cccc(F)c1Br
InChIInChI=1S/C17H19BrFNO/c1-20-17(14-4-3-5-15(19)16(14)18)13-8-6-12(7-9-13)10-11-21-2/h3-9,17,20H,10-11H2,1-2H3
InChIKeyHQABBZHVJAIEIW-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 62649182
1-[4-(2-methoxyethyl)phenyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43482394
1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018490
[(2-bromo-3-fluorophenyl)-(4-ethylphenyl)methyl]hydrazine
CID 105292836
(2-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 61099399
1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 43482400
1-(2-bromo-3-fluorophenyl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 115801020
1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 115811322
1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480563
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43484899
1-[bromo-(4-fluorophenyl)methyl]-4-(2-methoxyethyl)benzene
CID 61096683
N-[(2-bromo-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 81499377

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine (CID 81499776) is 1-(2-bromo-3-fluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine is CNC(c1ccc(CCOC)cc1)c1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine?
The InChIKey is HQABBZHVJAIEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-20-17(14-4-3-5-15(19)16(14)18)13-8-6-12(7-9-13)10-11-21-2/h3-9,17,20H,10-11H2,1-2H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine?
1-(2-bromo-3-fluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine has a molecular weight of 352.25 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 81499776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).