1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine

C16H20BrNS2 — CID 107354206

IUPAC1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
SMILESCC(NC(c1cccs1)C1CCCC1)c1cc(Br)cs1
InChIInChI=1S/C16H20BrNS2/c1-11(15-9-13(17)10-20-15)18-16(12-5-2-3-6-12)14-7-4-8-19-14/h4,7-12,16,18H,2-3,5-6H2,1H3
InChIKeyWHUYIKPOLDMMJD-UHFFFAOYSA-N
MW370.38 g/mol
LogP6.15
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine

1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine (PubChem CID 107354206) has the molecular formula C16H20BrNS2 and a molecular weight of 370.38 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
PubChem CID107354206
Molecular FormulaC16H20BrNS2
Molecular Weight370.38 g/mol
Exact Mass369.02
IUPAC Name1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
SMILESCC(NC(c1cccs1)C1CCCC1)c1cc(Br)cs1
InChIInChI=1S/C16H20BrNS2/c1-11(15-9-13(17)10-20-15)18-16(12-5-2-3-6-12)14-7-4-8-19-14/h4,7-12,16,18H,2-3,5-6H2,1H3
InChIKeyWHUYIKPOLDMMJD-UHFFFAOYSA-N
XLogP6.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.38
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 43740581
1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 43740628
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
N-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 43740525
N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine
CID 107167098
N-[cyclopentyl(thiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612493
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
N-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 54983114
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
1-(4-bromophenyl)-N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 63435762
[cyclooctyl(thiophen-2-yl)methyl]hydrazine
CID 105255061
N-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine
CID 113437878

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine (CID 107354206) is 1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine is CC(NC(c1cccs1)C1CCCC1)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
The InChIKey is WHUYIKPOLDMMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNS2/c1-11(15-9-13(17)10-20-15)18-16(12-5-2-3-6-12)14-7-4-8-19-14/h4,7-12,16,18H,2-3,5-6H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine has a molecular weight of 370.38 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 107354206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).