1-(5-bromothiophen-2-yl)-1-(4-ethyl-2-methoxyphenoxy)propan-2-amine

C16H20BrNO2S — CID 107663980

IUPAC1-(5-bromothiophen-2-yl)-1-(4-ethyl-2-methoxyphenoxy)propan-2-amine
SMILESCCc1ccc(OC(c2ccc(Br)s2)C(C)N)c(OC)c1
InChIInChI=1S/C16H20BrNO2S/c1-4-11-5-6-12(13(9-11)19-3)20-16(10(2)18)14-7-8-15(17)21-14/h5-10,16H,4,18H2,1-3H3
InChIKeyGGKKBTQICHOPBU-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.55
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)-1-(4-ethyl-2-methoxyphenoxy)propan-2-amine

1-(5-bromothiophen-2-yl)-1-(4-ethyl-2-methoxyphenoxy)propan-2-amine (PubChem CID 107663980) has the molecular formula C16H20BrNO2S and a molecular weight of 370.31 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-1-(4-ethyl-2-methoxyphenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-1-(4-ethyl-2-methoxyphenoxy)propan-2-amine
PubChem CID107663980
Molecular FormulaC16H20BrNO2S
Molecular Weight370.31 g/mol
Exact Mass369.04
IUPAC Name1-(5-bromothiophen-2-yl)-1-(4-ethyl-2-methoxyphenoxy)propan-2-amine
SMILESCCc1ccc(OC(c2ccc(Br)s2)C(C)N)c(OC)c1
InChIInChI=1S/C16H20BrNO2S/c1-4-11-5-6-12(13(9-11)19-3)20-16(10(2)18)14-7-8-15(17)21-14/h5-10,16H,4,18H2,1-3H3
InChIKeyGGKKBTQICHOPBU-UHFFFAOYSA-N
XLogP4.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-1-(2,5-dibromo-4-methoxyphenoxy)propan-2-amine
CID 79406904
1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine
CID 63461975
(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
CID 61104551
2-(4-ethyl-2-methoxyphenoxy)pentan-3-ol
CID 107667812
(2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid
CID 107663541
2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol
CID 63893838
2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol
CID 116830495
1-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine
CID 63880196
[2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 105222004
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761
1-[4-(4-ethyl-2-methoxyphenoxy)phenyl]propan-2-amine
CID 107668887
3-amino-3-(5-ethyl-2-methoxyphenyl)propane-1-thiol
CID 116831240

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-1-(4-ethyl-2-methoxyphenoxy)propan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-1-(4-ethyl-2-methoxyphenoxy)propan-2-amine (CID 107663980) is 1-(5-bromothiophen-2-yl)-1-(4-ethyl-2-methoxyphenoxy)propan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-1-(4-ethyl-2-methoxyphenoxy)propan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-1-(4-ethyl-2-methoxyphenoxy)propan-2-amine is CCc1ccc(OC(c2ccc(Br)s2)C(C)N)c(OC)c1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-1-(4-ethyl-2-methoxyphenoxy)propan-2-amine?
The InChIKey is GGKKBTQICHOPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2S/c1-4-11-5-6-12(13(9-11)19-3)20-16(10(2)18)14-7-8-15(17)21-14/h5-10,16H,4,18H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-1-(4-ethyl-2-methoxyphenoxy)propan-2-amine?
1-(5-bromothiophen-2-yl)-1-(4-ethyl-2-methoxyphenoxy)propan-2-amine has a molecular weight of 370.31 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-1-(4-ethyl-2-methoxyphenoxy)propan-2-amine is sourced from PubChem (CID 107663980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).