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

C14H23BrN2S — CID 62575589

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-(2-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCCCN1CCNCc1cc(Br)cs1
InChIInChI=1S/C14H23BrN2S/c1-2-13-5-3-4-7-17(13)8-6-16-10-14-9-12(15)11-18-14/h9,11,13,16H,2-8,10H2,1H3
InChIKeyFVMOCBPJBYVUQX-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.86
Rot. Bonds6

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

N-[(4-bromothiophen-2-yl)methyl]-2-(2-ethylpiperidin-1-yl)ethanamine (PubChem CID 62575589) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-(2-ethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-(2-ethylpiperidin-1-yl)ethanamine
PubChem CID62575589
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-(2-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCCCN1CCNCc1cc(Br)cs1
InChIInChI=1S/C14H23BrN2S/c1-2-13-5-3-4-7-17(13)8-6-16-10-14-9-12(15)11-18-14/h9,11,13,16H,2-8,10H2,1H3
InChIKeyFVMOCBPJBYVUQX-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.86
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

N-[(4-bromothiophen-2-yl)methyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine
CID 83222044
N-[(4-bromothiophen-2-yl)methyl]-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 55217013
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62575268
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 62575431
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62575266
N-[(4-bromothiophen-2-yl)methyl]-2-(4,4-diethylpiperidin-1-yl)ethanamine
CID 63503634
2-(2-ethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine
CID 62573323
N-[(4-bromothiophen-2-yl)methyl]-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 62573736
N-[(4-bromothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110898936
N-[(4-bromothiophen-2-yl)methyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
CID 62560431
N-[[5-[(2-ethylazepan-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557439
2-bromo-N-[2-(2-ethylazepan-1-yl)ethyl]aniline
CID 104692439

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(2-ethylpiperidin-1-yl)ethanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(2-ethylpiperidin-1-yl)ethanamine (CID 62575589) is N-[(4-bromothiophen-2-yl)methyl]-2-(2-ethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-(2-ethylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-(2-ethylpiperidin-1-yl)ethanamine is CCC1CCCCN1CCNCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-(2-ethylpiperidin-1-yl)ethanamine?
The InChIKey is FVMOCBPJBYVUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-2-13-5-3-4-7-17(13)8-6-16-10-14-9-12(15)11-18-14/h9,11,13,16H,2-8,10H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-(2-ethylpiperidin-1-yl)ethanamine?
N-[(4-bromothiophen-2-yl)methyl]-2-(2-ethylpiperidin-1-yl)ethanamine has a molecular weight of 331.32 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-(2-ethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 62575589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).