1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine

C14H24BrNO2S — CID 102928573

IUPAC1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine
SMILESCCCNC(CCOCCOC)Cc1sccc1Br
InChIInChI=1S/C14H24BrNO2S/c1-3-6-16-12(4-7-18-9-8-17-2)11-14-13(15)5-10-19-14/h5,10,12,16H,3-4,6-9,11H2,1-2H3
InChIKeyNHERBOCMJCPHOY-UHFFFAOYSA-N
MW350.32 g/mol
LogP3.47
Rot. Bonds11

About 1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine

1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine (PubChem CID 102928573) has the molecular formula C14H24BrNO2S and a molecular weight of 350.32 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine
PubChem CID102928573
Molecular FormulaC14H24BrNO2S
Molecular Weight350.32 g/mol
Exact Mass349.07
IUPAC Name1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine
SMILESCCCNC(CCOCCOC)Cc1sccc1Br
InChIInChI=1S/C14H24BrNO2S/c1-3-6-16-12(4-7-18-9-8-17-2)11-14-13(15)5-10-19-14/h5,10,12,16H,3-4,6-9,11H2,1-2H3
InChIKeyNHERBOCMJCPHOY-UHFFFAOYSA-N
XLogP3.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929781
1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine
CID 115848931
3-(3-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79088293
1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105139578
1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine
CID 105139445
[1-(3-bromothiophen-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105299615
1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine
CID 105139656
1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 63417463
1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 105139513
1-(3-bromothiophen-2-yl)-3-(2,5-dimethylphenyl)-N-propylpropan-2-amine
CID 115849045
1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 55120538
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2-methoxyethoxy)-N-propylbutan-2-amine
CID 102928656

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine (CID 102928573) is 1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine is CCCNC(CCOCCOC)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine?
The InChIKey is NHERBOCMJCPHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO2S/c1-3-6-16-12(4-7-18-9-8-17-2)11-14-13(15)5-10-19-14/h5,10,12,16H,3-4,6-9,11H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine?
1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine has a molecular weight of 350.32 g/mol, XLogP of 3.47, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine is sourced from PubChem (CID 102928573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).