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

C18H22BrNS — CID 43740581

IUPAC1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
SMILESCC(NC(c1cccs1)C1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C18H22BrNS/c1-13(14-8-10-16(19)11-9-14)20-18(15-5-2-3-6-15)17-7-4-12-21-17/h4,7-13,15,18,20H,2-3,5-6H2,1H3
InChIKeyLCDZZDOMVQRZOH-UHFFFAOYSA-N
MW364.35 g/mol
LogP6.09
Rot. Bonds5

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

1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine (PubChem CID 43740581) has the molecular formula C18H22BrNS and a molecular weight of 364.35 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
PubChem CID43740581
Molecular FormulaC18H22BrNS
Molecular Weight364.35 g/mol
Exact Mass363.07
IUPAC Name1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
SMILESCC(NC(c1cccs1)C1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C18H22BrNS/c1-13(14-8-10-16(19)11-9-14)20-18(15-5-2-3-6-15)17-7-4-12-21-17/h4,7-13,15,18,20H,2-3,5-6H2,1H3
InChIKeyLCDZZDOMVQRZOH-UHFFFAOYSA-N
XLogP6.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.35
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 43740628
1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 107354206
(1S)-1-(4-bromophenyl)-N-(dithiophen-2-ylmethyl)ethanamine
CID 81356826
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
1-(4-bromophenyl)-N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 63435762
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-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 43740525
(1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81357139
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
N-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 54983114
[cyclooctyl(thiophen-2-yl)methyl]hydrazine
CID 105255061

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine (CID 43740581) is 1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine is CC(NC(c1cccs1)C1CCCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
The InChIKey is LCDZZDOMVQRZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNS/c1-13(14-8-10-16(19)11-9-14)20-18(15-5-2-3-6-15)17-7-4-12-21-17/h4,7-13,15,18,20H,2-3,5-6H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine has a molecular weight of 364.35 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43740581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).