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

C14H16BrNOS — CID 81387303

IUPAC(1R)-N-[(3-bromothiophen-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1[C@@H](C)NCc1sccc1Br
InChIInChI=1S/C14H16BrNOS/c1-10(11-5-3-4-6-13(11)17-2)16-9-14-12(15)7-8-18-14/h3-8,10,16H,9H2,1-2H3/t10-/m1/s1
InChIKeyXCYWFVPZGFPIMY-SNVBAGLBSA-N
MW326.26 g/mol
LogP4.37
Rot. Bonds5

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

(1R)-N-[(3-bromothiophen-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine (PubChem CID 81387303) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is (1R)-N-[(3-bromothiophen-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-bromothiophen-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
PubChem CID81387303
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name(1R)-N-[(3-bromothiophen-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1[C@@H](C)NCc1sccc1Br
InChIInChI=1S/C14H16BrNOS/c1-10(11-5-3-4-6-13(11)17-2)16-9-14-12(15)7-8-18-14/h3-8,10,16H,9H2,1-2H3/t10-/m1/s1
InChIKeyXCYWFVPZGFPIMY-SNVBAGLBSA-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

N-[(3-bromothiophen-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 112551244
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81397203
(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81397385
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 43766775
N-[(5-bromothiophen-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 43431978
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
2-bromo-6-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81397811
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81386984
3-bromo-2-[(2-propan-2-ylphenoxy)methyl]thiophene
CID 63459035
(1R)-1-(3-bromophenyl)-N-[(3-bromothiophen-2-yl)methyl]ethanamine
CID 81382475
1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43180928
(1R)-1-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781229

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-bromothiophen-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[(3-bromothiophen-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine (CID 81387303) is (1R)-N-[(3-bromothiophen-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(3-bromothiophen-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(3-bromothiophen-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine is COc1ccccc1[C@@H](C)NCc1sccc1Br.
What is the InChIKey of (1R)-N-[(3-bromothiophen-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
The InChIKey is XCYWFVPZGFPIMY-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-10(11-5-3-4-6-13(11)17-2)16-9-14-12(15)7-8-18-14/h3-8,10,16H,9H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(3-bromothiophen-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
(1R)-N-[(3-bromothiophen-2-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 (1R)-N-[(3-bromothiophen-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 81387303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).