1-(3-bromo-4-fluorophenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine

C17H19BrFNO — CID 107950559

IUPAC1-(3-bromo-4-fluorophenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine
SMILESCCOc1ccc(C)cc1C(NC)c1ccc(F)c(Br)c1
InChIInChI=1S/C17H19BrFNO/c1-4-21-16-8-5-11(2)9-13(16)17(20-3)12-6-7-15(19)14(18)10-12/h5-10,17,20H,4H2,1-3H3
InChIKeyYLTHKFKPFITZQI-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.60
Rot. Bonds5

About 1-(3-bromo-4-fluorophenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine

1-(3-bromo-4-fluorophenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine (PubChem CID 107950559) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine
PubChem CID107950559
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name1-(3-bromo-4-fluorophenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine
SMILESCCOc1ccc(C)cc1C(NC)c1ccc(F)c(Br)c1
InChIInChI=1S/C17H19BrFNO/c1-4-21-16-8-5-11(2)9-13(16)17(20-3)12-6-7-15(19)14(18)10-12/h5-10,17,20H,4H2,1-3H3
InChIKeyYLTHKFKPFITZQI-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-ethoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 104657460
1-(3-bromo-4-ethoxyphenyl)-1-(4-bromo-3-fluorophenyl)-N-methylmethanamine
CID 104657518
1-(3-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 107950307
2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene
CID 104661476
N-[(3-bromo-4-fluorophenyl)-(2-bromo-5-methylphenyl)methyl]ethanamine
CID 81109551
1-(3-bromo-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 81472448
N-[(3-bromo-4-fluorophenyl)-(2-ethoxyphenyl)methyl]ethanamine
CID 79722958
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 79747347
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 104657492
1-(3-bromo-4-fluorophenyl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107950732
1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513771
1-(4-bromo-2,5-dimethylphenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
CID 107950608

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine (CID 107950559) is 1-(3-bromo-4-fluorophenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine is CCOc1ccc(C)cc1C(NC)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine?
The InChIKey is YLTHKFKPFITZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-4-21-16-8-5-11(2)9-13(16)17(20-3)12-6-7-15(19)14(18)10-12/h5-10,17,20H,4H2,1-3H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine?
1-(3-bromo-4-fluorophenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine has a molecular weight of 352.25 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107950559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).