2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine

C14H24BrNOS — CID 55111296

IUPAC2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine
SMILESCOCCNCC(Cc1ccc(Br)s1)CC(C)C
InChIInChI=1S/C14H24BrNOS/c1-11(2)8-12(10-16-6-7-17-3)9-13-4-5-14(15)18-13/h4-5,11-12,16H,6-10H2,1-3H3
InChIKeyAAIZPLMBZPAGPL-UHFFFAOYSA-N
MW334.32 g/mol
LogP3.95
Rot. Bonds9

About 2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine

2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine (PubChem CID 55111296) has the molecular formula C14H24BrNOS and a molecular weight of 334.32 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine
PubChem CID55111296
Molecular FormulaC14H24BrNOS
Molecular Weight334.32 g/mol
Exact Mass333.08
IUPAC Name2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine
SMILESCOCCNCC(Cc1ccc(Br)s1)CC(C)C
InChIInChI=1S/C14H24BrNOS/c1-11(2)8-12(10-16-6-7-17-3)9-13-4-5-14(15)18-13/h4-5,11-12,16H,6-10H2,1-3H3
InChIKeyAAIZPLMBZPAGPL-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 53.95
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-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 62725640
[1-(5-bromothiophen-2-yl)-4-methylpentan-2-yl]hydrazine
CID 105198819
N-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
CID 62717677
4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine
CID 64502836
N-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine
CID 63507800
2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150572
2-[(2-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 115984227
3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62725480
N-(2-methoxyethyl)-4-methyl-2-(trimethylsilylmethyl)pentan-1-amine
CID 106323555
N-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine
CID 62718638
N-[(5-bromothiophen-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104561851
2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 82926038

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine (CID 55111296) is 2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine is COCCNCC(Cc1ccc(Br)s1)CC(C)C.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine?
The InChIKey is AAIZPLMBZPAGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNOS/c1-11(2)8-12(10-16-6-7-17-3)9-13-4-5-14(15)18-13/h4-5,11-12,16H,6-10H2,1-3H3.
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine?
2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine has a molecular weight of 334.32 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine is sourced from PubChem (CID 55111296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).