N-[(5-bromothiophen-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine

C14H16BrNOS — CID 43431978

IUPACN-[(5-bromothiophen-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(C)NCc1csc(Br)c1
InChIInChI=1S/C14H16BrNOS/c1-10(12-5-3-4-6-13(12)17-2)16-8-11-7-14(15)18-9-11/h3-7,9-10,16H,8H2,1-2H3
InChIKeyPGHFMCGZKNMGOT-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.37
Rot. Bonds5

About N-[(5-bromothiophen-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine

N-[(5-bromothiophen-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine (PubChem CID 43431978) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
PubChem CID43431978
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(C)NCc1csc(Br)c1
InChIInChI=1S/C14H16BrNOS/c1-10(12-5-3-4-6-13(12)17-2)16-8-11-7-14(15)18-9-11/h3-7,9-10,16H,8H2,1-2H3
InChIKeyPGHFMCGZKNMGOT-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(3-bromothiophen-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81387303
1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine
CID 60760516
(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28624444
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine
CID 81388530
N-[(5-bromothiophen-3-yl)methyl]propan-2-amine
CID 43431930
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81397203
2-methoxy-4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 28624338
2-methoxy-5-[[1-(2-methoxyphenyl)ethylamino]methyl]phenol
CID 43180902
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 65022718
N-[(5-bromothiophen-3-yl)methyl]-1-phenylpropan-2-amine
CID 63010723
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
(1R)-1-(2-bromophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 30615952

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine (CID 43431978) is N-[(5-bromothiophen-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine is COc1ccccc1C(C)NCc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
The InChIKey is PGHFMCGZKNMGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-10(12-5-3-4-6-13(12)17-2)16-8-11-7-14(15)18-9-11/h3-7,9-10,16H,8H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
N-[(5-bromothiophen-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine has a molecular weight of 326.26 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 43431978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).