2-(5-bromothiophen-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine

C11H13BrN2S — CID 115686125

IUPAC2-(5-bromothiophen-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESBrc1ccc(CCNCc2cc[nH]c2)s1
InChIInChI=1S/C11H13BrN2S/c12-11-2-1-10(15-11)4-6-14-8-9-3-5-13-7-9/h1-3,5,7,13-14H,4,6,8H2
InChIKeyLOMYIMLDICBXRL-UHFFFAOYSA-N
MW285.21 g/mol
LogP3.17
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine

2-(5-bromothiophen-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine (PubChem CID 115686125) has the molecular formula C11H13BrN2S and a molecular weight of 285.21 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
PubChem CID115686125
Molecular FormulaC11H13BrN2S
Molecular Weight285.21 g/mol
Exact Mass284.00
IUPAC Name2-(5-bromothiophen-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESBrc1ccc(CCNCc2cc[nH]c2)s1
InChIInChI=1S/C11H13BrN2S/c12-11-2-1-10(15-11)4-6-14-8-9-3-5-13-7-9/h1-3,5,7,13-14H,4,6,8H2
InChIKeyLOMYIMLDICBXRL-UHFFFAOYSA-N
XLogP3.17
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromothiophen-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 113227156
2-(5-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine;hydrochloride
CID 115593241
2-(1H-pyrrol-3-ylmethylamino)ethanethiol
CID 115223957
N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromothiophen-2-yl)ethanamine
CID 115213054
3-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]-5-fluorobenzonitrile
CID 106047103
3-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]-N-methylaniline
CID 115212276
5-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile
CID 103729197
N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine
CID 106042832
N-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine
CID 106046795
2-(5-bromothiophen-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 106047165
N-methyl-4-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]aniline
CID 115212835
N-[2-(5-bromothiophen-2-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 114140447

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine (CID 115686125) is 2-(5-bromothiophen-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine is Brc1ccc(CCNCc2cc[nH]c2)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The InChIKey is LOMYIMLDICBXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2S/c12-11-2-1-10(15-11)4-6-14-8-9-3-5-13-7-9/h1-3,5,7,13-14H,4,6,8H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
2-(5-bromothiophen-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine has a molecular weight of 285.21 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine is sourced from PubChem (CID 115686125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).