3-[5-(4-bromophenyl)thiophen-2-yl]-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine

C17H20BrNOS — CID 79344307

IUPAC3-[5-(4-bromophenyl)thiophen-2-yl]-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
SMILESCOCCNCC(C)=Cc1ccc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C17H20BrNOS/c1-13(12-19-9-10-20-2)11-16-7-8-17(21-16)14-3-5-15(18)6-4-14/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyINYLFCYWVOXFDD-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.82
Rot. Bonds7

About 3-[5-(4-bromophenyl)thiophen-2-yl]-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine

3-[5-(4-bromophenyl)thiophen-2-yl]-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine (PubChem CID 79344307) has the molecular formula C17H20BrNOS and a molecular weight of 366.32 g/mol. Its IUPAC name is 3-[5-(4-bromophenyl)thiophen-2-yl]-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-[5-(4-bromophenyl)thiophen-2-yl]-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
PubChem CID79344307
Molecular FormulaC17H20BrNOS
Molecular Weight366.32 g/mol
Exact Mass365.04
IUPAC Name3-[5-(4-bromophenyl)thiophen-2-yl]-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
SMILESCOCCNCC(C)=Cc1ccc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C17H20BrNOS/c1-13(12-19-9-10-20-2)11-16-7-8-17(21-16)14-3-5-15(18)6-4-14/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyINYLFCYWVOXFDD-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromothiophen-2-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79339930
(E)-4-[5-(4-bromophenyl)thiophen-2-yl]-3-methyl-N-propylbut-3-en-2-amine
CID 103093568
N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine
CID 79337069
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79338510
3-[5-(4-bromophenyl)thiophen-2-yl]-2-cyano-N-(2-methoxyethyl)-3-oxopropanamide
CID 112839566
3-(3,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 79337172
3-(3,4-difluorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 79337388
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119702529
N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide
CID 78914131
N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 79344316
N-(2-methoxyethyl)-2-methyl-3-(3-nitrophenyl)prop-2-en-1-amine
CID 79337978
2-[(3-bromophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79347877

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-bromophenyl)thiophen-2-yl]-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine?
The IUPAC name of 3-[5-(4-bromophenyl)thiophen-2-yl]-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine (CID 79344307) is 3-[5-(4-bromophenyl)thiophen-2-yl]-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-[5-(4-bromophenyl)thiophen-2-yl]-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-[5-(4-bromophenyl)thiophen-2-yl]-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine is COCCNCC(C)=Cc1ccc(-c2ccc(Br)cc2)s1.
What is the InChIKey of 3-[5-(4-bromophenyl)thiophen-2-yl]-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine?
The InChIKey is INYLFCYWVOXFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNOS/c1-13(12-19-9-10-20-2)11-16-7-8-17(21-16)14-3-5-15(18)6-4-14/h3-8,11,19H,9-10,12H2,1-2H3.
What are the key properties of 3-[5-(4-bromophenyl)thiophen-2-yl]-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine?
3-[5-(4-bromophenyl)thiophen-2-yl]-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine has a molecular weight of 366.32 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-bromophenyl)thiophen-2-yl]-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79344307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).