N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine

C16H20BrNOS — CID 105035892

IUPACN-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccccc1C(NCC)c1sccc1Br
InChIInChI=1S/C16H20BrNOS/c1-3-10-19-14-8-6-5-7-12(14)15(18-4-2)16-13(17)9-11-20-16/h5-9,11,15,18H,3-4,10H2,1-2H3
InChIKeyUFHIOLGTEDJTOP-UHFFFAOYSA-N
MW354.31 g/mol
LogP5.00
Rot. Bonds7

About N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine

N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine (PubChem CID 105035892) has the molecular formula C16H20BrNOS and a molecular weight of 354.31 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
PubChem CID105035892
Molecular FormulaC16H20BrNOS
Molecular Weight354.31 g/mol
Exact Mass353.04
IUPAC NameN-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccccc1C(NCC)c1sccc1Br
InChIInChI=1S/C16H20BrNOS/c1-3-10-19-14-8-6-5-7-12(14)15(18-4-2)16-13(17)9-11-20-16/h5-9,11,15,18H,3-4,10H2,1-2H3
InChIKeyUFHIOLGTEDJTOP-UHFFFAOYSA-N
XLogP5.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[phenyl-(2-propoxyphenyl)methyl]ethanamine
CID 104659888
N-[(3-bromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80536090
N-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 80535905
N-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine
CID 105172958
N-[(3-bromothiophen-2-yl)-isoquinolin-8-ylmethyl]ethanamine
CID 103138016
N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
CID 105035798
N-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine
CID 63798446
N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035974
N-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105180804
N-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035800
(3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104658901
N-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine
CID 104659903

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine (CID 105035892) is N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine is CCCOc1ccccc1C(NCC)c1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine?
The InChIKey is UFHIOLGTEDJTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNOS/c1-3-10-19-14-8-6-5-7-12(14)15(18-4-2)16-13(17)9-11-20-16/h5-9,11,15,18H,3-4,10H2,1-2H3.
What are the key properties of N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine?
N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine has a molecular weight of 354.31 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 105035892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).