3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine

C12H18BrNS — CID 83148633

IUPAC3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(Cc1sccc1Br)C1CC1
InChIInChI=1S/C12H18BrNS/c1-12(8-14-2,9-3-4-9)7-11-10(13)5-6-15-11/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyQQSNKLQUHGUANA-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.69
Rot. Bonds5

About 3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine

3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine (PubChem CID 83148633) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
PubChem CID83148633
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(Cc1sccc1Br)C1CC1
InChIInChI=1S/C12H18BrNS/c1-12(8-14-2,9-3-4-9)7-11-10(13)5-6-15-11/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyQQSNKLQUHGUANA-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene
CID 83149751
3-(3-bromothiophen-2-yl)-2-cyclopropyl-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159994
1-(3-bromothiophen-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66039885
4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 81022935
N-[2-[(3-bromothiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 62717986
2-[(3-bromothiophen-2-yl)methyl]-4-tert-butyl-N-methylcyclohexan-1-amine
CID 55188433
2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83138413
2-[(3-bromothiophen-2-yl)methyl]-2-methylpropane-1,3-diol
CID 79450444
2-(3-bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
CID 105091001
3-bromo-2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]thiophene
CID 112571116
3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 62725350
2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine
CID 64986632

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine (CID 83148633) is 3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine is CNCC(C)(Cc1sccc1Br)C1CC1.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine?
The InChIKey is QQSNKLQUHGUANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-12(8-14-2,9-3-4-9)7-11-10(13)5-6-15-11/h5-6,9,14H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine?
3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine has a molecular weight of 288.25 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 83148633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).