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

C14H15BrFNOS — CID 43561509

IUPACN-[(5-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)c1ccc(OC)cc1F
InChIInChI=1S/C14H15BrFNOS/c1-3-17-14(12-6-7-13(15)19-12)10-5-4-9(18-2)8-11(10)16/h4-8,14,17H,3H2,1-2H3
InChIKeyXHLDLNVSTQBXAK-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.36
Rot. Bonds5

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

N-[(5-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine (PubChem CID 43561509) has the molecular formula C14H15BrFNOS and a molecular weight of 344.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
PubChem CID43561509
Molecular FormulaC14H15BrFNOS
Molecular Weight344.25 g/mol
Exact Mass343.00
IUPAC NameN-[(5-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)c1ccc(OC)cc1F
InChIInChI=1S/C14H15BrFNOS/c1-3-17-14(12-6-7-13(15)19-12)10-5-4-9(18-2)8-11(10)16/h4-8,14,17H,3H2,1-2H3
InChIKeyXHLDLNVSTQBXAK-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

[(4-Methoxyphenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868415
[2-(4-Methoxy-phenyl)-ethyl]-(3-methyl-thiophen-2-ylmethyl)-amine
CID 6473116
4-(4-Methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 2736769
2-Thenylamine, N-isopropyl-alpha-(m-methoxybenzyl)-, hydrochloride
CID 3062036
2-Thenylamine, N-ethyl-alpha-(p-methoxybenzyl)-, hydrochloride
CID 3062040
2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4718431
4-(4-(Trifluoromethoxy)phenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 2777349
(4R)-4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 6925902
3-(4-methoxyphenyl)-N-[1-(2-thienyl)ethyl]-3-(4-fluorophenyl)-1-propanamine
CID 3400322
N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-thiophen-2-ylethanamine
CID 20803251
(3-Fluoro-4-methoxyphenyl)-thiophen-3-ylmethanamine
CID 43474185
7-(3-Fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 53706198

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine (CID 43561509) is N-[(5-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(Br)s1)c1ccc(OC)cc1F.
What is the InChIKey of N-[(5-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is XHLDLNVSTQBXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNOS/c1-3-17-14(12-6-7-13(15)19-12)10-5-4-9(18-2)8-11(10)16/h4-8,14,17H,3H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
N-[(5-bromothiophen-2-yl)-(2-fluoro-4-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)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43561509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).