N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)ethanamine

C15H17BrN2S — CID 80577286

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)ethanamine
SMILESBrc1ccc(CNCCC2CNc3ccccc32)s1
InChIInChI=1S/C15H17BrN2S/c16-15-6-5-12(19-15)10-17-8-7-11-9-18-14-4-2-1-3-13(11)14/h1-6,11,17-18H,7-10H2
InChIKeyLRUDRZFESOUNRM-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.20
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)ethanamine

N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)ethanamine (PubChem CID 80577286) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)ethanamine
PubChem CID80577286
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)ethanamine
SMILESBrc1ccc(CNCCC2CNc3ccccc32)s1
InChIInChI=1S/C15H17BrN2S/c16-15-6-5-12(19-15)10-17-8-7-11-9-18-14-4-2-1-3-13(11)14/h1-6,11,17-18H,7-10H2
InChIKeyLRUDRZFESOUNRM-UHFFFAOYSA-N
XLogP4.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 106012227
2-(2,3-dihydro-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine
CID 80577253
2-(2,3-dihydro-1H-indol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 80577045
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 80577041
2-(azetidin-3-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 116680120
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide
CID 89199878
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine
CID 115568760
3-[2-(2,3-dihydro-1H-indol-3-yl)ethylamino]propane-1-sulfonic acid
CID 89053468
N-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1H-indol-3-yl)methanamine
CID 80566632
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-ethylcyclobutan-1-amine
CID 113488821
N-(dicyclopropylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanamine
CID 80577004
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)ethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)ethanamine (CID 80577286) is N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)ethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)ethanamine is Brc1ccc(CNCCC2CNc3ccccc32)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)ethanamine?
The InChIKey is LRUDRZFESOUNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c16-15-6-5-12(19-15)10-17-8-7-11-9-18-14-4-2-1-3-13(11)14/h1-6,11,17-18H,7-10H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)ethanamine?
N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)ethanamine has a molecular weight of 337.29 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 80577286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).