1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine

C15H18BrNOS — CID 81399004

IUPAC1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
SMILESCOc1ccc(C(C)N[C@H](C)c2cccs2)cc1Br
InChIInChI=1S/C15H18BrNOS/c1-10(17-11(2)15-5-4-8-19-15)12-6-7-14(18-3)13(16)9-12/h4-11,17H,1-3H3/t10?,11-/m1/s1
InChIKeyLPNBWBCDHPIAEX-RRKGBCIJSA-N
MW340.29 g/mol
LogP4.93
Rot. Bonds5

About 1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine

1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine (PubChem CID 81399004) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
PubChem CID81399004
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
SMILESCOc1ccc(C(C)N[C@H](C)c2cccs2)cc1Br
InChIInChI=1S/C15H18BrNOS/c1-10(17-11(2)15-5-4-8-19-15)12-6-7-14(18-3)13(16)9-12/h4-11,17H,1-3H3/t10?,11-/m1/s1
InChIKeyLPNBWBCDHPIAEX-RRKGBCIJSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43734036
1-(3-bromo-4-methoxyphenyl)-N-[1-(4-bromothiophen-2-yl)ethyl]ethanamine
CID 107354175
1-(3-bromo-4-methoxyphenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine
CID 43788874
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-bromophenyl)ethanamine
CID 81355700
(R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171225500
(1S)-1-(3-bromo-4-methoxyphenyl)-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 9001707
(1R)-1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 9001715
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350501
(1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81372236
1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407566
1-(3-bromo-4-methoxyphenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]ethanamine
CID 81374017
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine
CID 104827887

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine (CID 81399004) is 1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine is COc1ccc(C(C)N[C@H](C)c2cccs2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine?
The InChIKey is LPNBWBCDHPIAEX-RRKGBCIJSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-10(17-11(2)15-5-4-8-19-15)12-6-7-14(18-3)13(16)9-12/h4-11,17H,1-3H3/t10?,11-/m1/s1.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine?
1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine has a molecular weight of 340.29 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine is sourced from PubChem (CID 81399004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).