1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine

C11H16BrNS — CID 83153918

IUPAC1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(c1sccc1Br)C(C)C1CC1
InChIInChI=1S/C11H16BrNS/c1-7(8-3-4-8)10(13-2)11-9(12)5-6-14-11/h5-8,10,13H,3-4H2,1-2H3
InChIKeyRIOQNHDPMDSGDF-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.82
Rot. Bonds4

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

1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine (PubChem CID 83153918) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
PubChem CID83153918
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(c1sccc1Br)C(C)C1CC1
InChIInChI=1S/C11H16BrNS/c1-7(8-3-4-8)10(13-2)11-9(12)5-6-14-11/h5-8,10,13H,3-4H2,1-2H3
InChIKeyRIOQNHDPMDSGDF-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 83153908
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83154901
1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine
CID 115849121
(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine
CID 81394247
3-bromo-2-[chloro(cyclopropyl)methyl]thiophene
CID 80536056
1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 80534954
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 102828326
2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 83153909
1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine
CID 80534878
N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine
CID 103902688
(S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine
CID 130055125
3-bromo-2-(1-bromo-2-cyclopentylethyl)thiophene
CID 80536775

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine (CID 83153918) is 1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine is CNC(c1sccc1Br)C(C)C1CC1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine?
The InChIKey is RIOQNHDPMDSGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-7(8-3-4-8)10(13-2)11-9(12)5-6-14-11/h5-8,10,13H,3-4H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine?
1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine has a molecular weight of 274.23 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine is sourced from PubChem (CID 83153918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).