N-[(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine

C15H24BrNOS — CID 80536036

IUPACN-[(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1Br)C1C(C)OC(C)C1C
InChIInChI=1S/C15H24BrNOS/c1-5-7-17-14(15-12(16)6-8-19-15)13-9(2)10(3)18-11(13)4/h6,8-11,13-14,17H,5,7H2,1-4H3
InChIKeyKBTUVLXIYJBJHQ-UHFFFAOYSA-N
MW346.33 g/mol
LogP4.61
Rot. Bonds5

About N-[(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine

N-[(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 80536036) has the molecular formula C15H24BrNOS and a molecular weight of 346.33 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
PubChem CID80536036
Molecular FormulaC15H24BrNOS
Molecular Weight346.33 g/mol
Exact Mass345.08
IUPAC NameN-[(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1Br)C1C(C)OC(C)C1C
InChIInChI=1S/C15H24BrNOS/c1-5-7-17-14(15-12(16)6-8-19-15)13-9(2)10(3)18-11(13)4/h6,8-11,13-14,17H,5,7H2,1-4H3
InChIKeyKBTUVLXIYJBJHQ-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-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

N-[(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 65156334
N-[(2,3-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 115850487
N-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 65156595
N-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 115851998
N-[(3-bromothiophen-2-yl)-(1,1-dioxothian-2-yl)methyl]propan-1-amine
CID 104519034
N-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 65156694
N-[(4-fluoro-3-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 79721558
1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 80536067
[2-(3-bromothiophen-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]hydrazine
CID 105299620
N-[pyrazin-2-yl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 115860548
1-(3-bromothiophen-2-yl)-N-propylbut-3-yn-1-amine
CID 114977322
N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115847708

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine (CID 80536036) is N-[(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine is CCCNC(c1sccc1Br)C1C(C)OC(C)C1C.
What is the InChIKey of N-[(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is KBTUVLXIYJBJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNOS/c1-5-7-17-14(15-12(16)6-8-19-15)13-9(2)10(3)18-11(13)4/h6,8-11,13-14,17H,5,7H2,1-4H3.
What are the key properties of N-[(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
N-[(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 346.33 g/mol, XLogP of 4.61, 5 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)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 80536036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).