N-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine

C14H15BrFNOS — CID 43492175

IUPACN-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)c1cc(F)ccc1OC
InChIInChI=1S/C14H15BrFNOS/c1-3-17-14(12-6-7-13(15)19-12)10-8-9(16)4-5-11(10)18-2/h4-8,14,17H,3H2,1-2H3
InChIKeyKEZBNXCLTOFQBN-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.36
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine

N-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine (PubChem CID 43492175) has the molecular formula C14H15BrFNOS and a molecular weight of 344.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
PubChem CID43492175
Molecular FormulaC14H15BrFNOS
Molecular Weight344.25 g/mol
Exact Mass343.00
IUPAC NameN-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)c1cc(F)ccc1OC
InChIInChI=1S/C14H15BrFNOS/c1-3-17-14(12-6-7-13(15)19-12)10-8-9(16)4-5-11(10)18-2/h4-8,14,17H,3H2,1-2H3
InChIKeyKEZBNXCLTOFQBN-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43490698
N-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
CID 43493518
N-[(2-bromofuran-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 106851642
N-[(5-fluoro-2-methoxyphenyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105176560
N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
CID 61104179
N-[(5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 43492196
N-[(4-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]propan-1-amine
CID 82770851
N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 82769775
N-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine
CID 79724246
N-[(5-bromothiophen-2-yl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562077
N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 103394718
N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 82769634

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine (CID 43492175) is N-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(Br)s1)c1cc(F)ccc1OC.
What is the InChIKey of N-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
The InChIKey is KEZBNXCLTOFQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNOS/c1-3-17-14(12-6-7-13(15)19-12)10-8-9(16)4-5-11(10)18-2/h4-8,14,17H,3H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
N-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine has a molecular weight of 344.25 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43492175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).