1-(3-bromothiophen-2-yl)-2-ethoxy-2-methylpropan-1-amine

C10H16BrNOS — CID 116726184

IUPAC1-(3-bromothiophen-2-yl)-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)C(N)c1sccc1Br
InChIInChI=1S/C10H16BrNOS/c1-4-13-10(2,3)9(12)8-7(11)5-6-14-8/h5-6,9H,4,12H2,1-3H3
InChIKeyTZDVXPXHIQQVMH-UHFFFAOYSA-N
MW278.21 g/mol
LogP3.33
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-2-ethoxy-2-methylpropan-1-amine

1-(3-bromothiophen-2-yl)-2-ethoxy-2-methylpropan-1-amine (PubChem CID 116726184) has the molecular formula C10H16BrNOS and a molecular weight of 278.21 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-ethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-ethoxy-2-methylpropan-1-amine
PubChem CID116726184
Molecular FormulaC10H16BrNOS
Molecular Weight278.21 g/mol
Exact Mass277.01
IUPAC Name1-(3-bromothiophen-2-yl)-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)C(N)c1sccc1Br
InChIInChI=1S/C10H16BrNOS/c1-4-13-10(2,3)9(12)8-7(11)5-6-14-8/h5-6,9H,4,12H2,1-3H3
InChIKeyTZDVXPXHIQQVMH-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromothiophen-2-yl)-2-ethoxy-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxybutan-1-amine
CID 116760534
(1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 131352754
ethyl (3S)-3-amino-3-(3-bromothiophen-2-yl)propanoate;hydrochloride
CID 171230640
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099
3-bromo-2-(1-chloro-2,2-dimethylbutyl)thiophene
CID 80535903
ethyl 2-(3-bromothiophen-2-yl)pentanoate
CID 83043654
diethyl 2-[(3-bromothiophen-2-yl)-hydroxymethyl]propanedioate
CID 113298285
2-(aminomethyl)-1-(3-bromothiophen-2-yl)-2-methylbutan-1-ol
CID 115381489
(3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine
CID 55240105
(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine
CID 63797552
(1R)-1-(3-bromothiophen-2-yl)propan-1-ol
CID 82758861
1-(3-bromothiophen-2-yl)tridecan-1-amine
CID 115846566

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-ethoxy-2-methylpropan-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-ethoxy-2-methylpropan-1-amine (CID 116726184) is 1-(3-bromothiophen-2-yl)-2-ethoxy-2-methylpropan-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-ethoxy-2-methylpropan-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-ethoxy-2-methylpropan-1-amine is CCOC(C)(C)C(N)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-ethoxy-2-methylpropan-1-amine?
The InChIKey is TZDVXPXHIQQVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-4-13-10(2,3)9(12)8-7(11)5-6-14-8/h5-6,9H,4,12H2,1-3H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-ethoxy-2-methylpropan-1-amine?
1-(3-bromothiophen-2-yl)-2-ethoxy-2-methylpropan-1-amine has a molecular weight of 278.21 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-ethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 116726184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).