N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine

C11H18BrNOS — CID 82941408

IUPACN-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNCc1cc(Br)cs1
InChIInChI=1S/C11H18BrNOS/c1-2-5-14-6-3-4-13-8-11-7-10(12)9-15-11/h7,9,13H,2-6,8H2,1H3
InChIKeyWLIYPPLMAOHILB-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.42
Rot. Bonds8

About N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine

N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine (PubChem CID 82941408) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine
PubChem CID82941408
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNCc1cc(Br)cs1
InChIInChI=1S/C11H18BrNOS/c1-2-5-14-6-3-4-13-8-11-7-10(12)9-15-11/h7,9,13H,2-6,8H2,1H3
InChIKeyWLIYPPLMAOHILB-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-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-bromothiophen-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28834395
N-[(4-bromothiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82958028
3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62715454
4-bromo-2-(propoxymethyl)thiophene
CID 59332771
N-[(4-bromothiophen-2-yl)methyl]-N',N'-bis(2-ethoxyethyl)ethane-1,2-diamine
CID 82944029
5-bromo-N-[(4-bromothiophen-2-yl)methyl]pentan-1-amine
CID 107320315
5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide
CID 115735466
N-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 115581259
2-(4-bromo-3,5-dimethylphenoxy)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107726659
N-[(4-bromothiophen-2-yl)methyl]-2-(2,4,6-trimethylphenoxy)ethanamine
CID 63516198
2-(5-bromo-2-methylphenoxy)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107286383
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyethylsulfanyl)ethanamine
CID 62577392

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine (CID 82941408) is N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine is CCCOCCCNCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine?
The InChIKey is WLIYPPLMAOHILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-2-5-14-6-3-4-13-8-11-7-10(12)9-15-11/h7,9,13H,2-6,8H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine?
N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine has a molecular weight of 292.24 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine is sourced from PubChem (CID 82941408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).