3-[(4-bromothiophen-2-yl)methoxy]-N-propan-2-ylpropan-1-amine

C11H18BrNOS — CID 62343396

IUPAC3-[(4-bromothiophen-2-yl)methoxy]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOCc1cc(Br)cs1
InChIInChI=1S/C11H18BrNOS/c1-9(2)13-4-3-5-14-7-11-6-10(12)8-15-11/h6,8-9,13H,3-5,7H2,1-2H3
InChIKeyVGSPAKQRUUMVJR-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.42
Rot. Bonds7

About 3-[(4-bromothiophen-2-yl)methoxy]-N-propan-2-ylpropan-1-amine

3-[(4-bromothiophen-2-yl)methoxy]-N-propan-2-ylpropan-1-amine (PubChem CID 62343396) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is 3-[(4-bromothiophen-2-yl)methoxy]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[(4-bromothiophen-2-yl)methoxy]-N-propan-2-ylpropan-1-amine
PubChem CID62343396
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC Name3-[(4-bromothiophen-2-yl)methoxy]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOCc1cc(Br)cs1
InChIInChI=1S/C11H18BrNOS/c1-9(2)13-4-3-5-14-7-11-6-10(12)8-15-11/h6,8-9,13H,3-5,7H2,1-2H3
InChIKeyVGSPAKQRUUMVJR-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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'}

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Related Compounds

4-bromo-2-(propoxymethyl)thiophene
CID 59332771
3-[(3,5-dimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 62342428
N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine
CID 82941408
N-[(4-bromothiophen-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28834395
4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015944
1-[(4-bromothiophen-2-yl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111398573
N-[(1R)-1-(4-bromothiophen-2-yl)ethyl]-3-(oxan-4-yloxy)propan-1-amine
CID 129403077
4-bromo-2-(cyclohexylmethoxymethyl)thiophene
CID 55219959
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine
CID 63486928
N-[1-(4-bromophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine
CID 43205746
3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylpropan-1-amine
CID 66190937
3-[(5-methyl-3-pyridinyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 102877253

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromothiophen-2-yl)methoxy]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[(4-bromothiophen-2-yl)methoxy]-N-propan-2-ylpropan-1-amine (CID 62343396) is 3-[(4-bromothiophen-2-yl)methoxy]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[(4-bromothiophen-2-yl)methoxy]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[(4-bromothiophen-2-yl)methoxy]-N-propan-2-ylpropan-1-amine is CC(C)NCCCOCc1cc(Br)cs1.
What is the InChIKey of 3-[(4-bromothiophen-2-yl)methoxy]-N-propan-2-ylpropan-1-amine?
The InChIKey is VGSPAKQRUUMVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-9(2)13-4-3-5-14-7-11-6-10(12)8-15-11/h6,8-9,13H,3-5,7H2,1-2H3.
What are the key properties of 3-[(4-bromothiophen-2-yl)methoxy]-N-propan-2-ylpropan-1-amine?
3-[(4-bromothiophen-2-yl)methoxy]-N-propan-2-ylpropan-1-amine has a molecular weight of 292.24 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromothiophen-2-yl)methoxy]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62343396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).