N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine

C14H14BrClFNOS — CID 103394718

IUPACN-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)s1)c1cc(Br)c(F)cc1OC
InChIInChI=1S/C14H14BrClFNOS/c1-3-18-14(12-4-5-13(16)20-12)8-6-9(15)10(17)7-11(8)19-2/h4-7,14,18H,3H2,1-2H3
InChIKeyBIKVHJNRGXXUFG-UHFFFAOYSA-N
MW378.69 g/mol
LogP5.01
Rot. Bonds5

About N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine

N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine (PubChem CID 103394718) has the molecular formula C14H14BrClFNOS and a molecular weight of 378.69 g/mol. Its IUPAC name is N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
PubChem CID103394718
Molecular FormulaC14H14BrClFNOS
Molecular Weight378.69 g/mol
Exact Mass376.97
IUPAC NameN-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)s1)c1cc(Br)c(F)cc1OC
InChIInChI=1S/C14H14BrClFNOS/c1-3-18-14(12-4-5-13(16)20-12)8-6-9(15)10(17)7-11(8)19-2/h4-7,14,18H,3H2,1-2H3
InChIKeyBIKVHJNRGXXUFG-UHFFFAOYSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.69
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81283886
N-[(2-bromo-5-methylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 81110691
N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 43492027
N-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 43492175
N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 103394722
N-[(4-bromo-5-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 102828487
N-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43490698
N-[(2-chloro-4,5-dimethylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 115483998
N-[(5-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81128008
N-[(2-bromo-5-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 43497043
N-[(2-bromo-4,5-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43491679
N-[(2-bromofuran-3-yl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 106851640

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine (CID 103394718) is N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(Cl)s1)c1cc(Br)c(F)cc1OC.
What is the InChIKey of N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine?
The InChIKey is BIKVHJNRGXXUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClFNOS/c1-3-18-14(12-4-5-13(16)20-12)8-6-9(15)10(17)7-11(8)19-2/h4-7,14,18H,3H2,1-2H3.
What are the key properties of N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine?
N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine has a molecular weight of 378.69 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 103394718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).