N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine

C13H16BrNS2 — CID 62602066

IUPACN-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1sccc1Br)c1ccsc1
InChIInChI=1S/C13H16BrNS2/c1-2-5-15-12(10-3-6-16-9-10)8-13-11(14)4-7-17-13/h3-4,6-7,9,12,15H,2,5,8H2,1H3
InChIKeyHPAYQDXWDVFTHD-UHFFFAOYSA-N
MW330.32 g/mol
LogP4.86
Rot. Bonds6

About N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine

N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine (PubChem CID 62602066) has the molecular formula C13H16BrNS2 and a molecular weight of 330.32 g/mol. Its IUPAC name is N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine
PubChem CID62602066
Molecular FormulaC13H16BrNS2
Molecular Weight330.32 g/mol
Exact Mass328.99
IUPAC NameN-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1sccc1Br)c1ccsc1
InChIInChI=1S/C13H16BrNS2/c1-2-5-15-12(10-3-6-16-9-10)8-13-11(14)4-7-17-13/h3-4,6-7,9,12,15H,2,5,8H2,1H3
InChIKeyHPAYQDXWDVFTHD-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 63414681
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 114330808
N-[2-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 63412597
N-[2-(3-bromothiophen-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62608324
1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 105139513
N-[2-(3-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105139481
N-[2-(3-bromothiophen-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]propan-1-amine
CID 115848866
N-[2-(3-bromothiophen-2-yl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522485
N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 60820051
N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 63798477
N-[2-(3-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine
CID 115849219
N-[2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
CID 115849158

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine (CID 62602066) is N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1sccc1Br)c1ccsc1.
What is the InChIKey of N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is HPAYQDXWDVFTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNS2/c1-2-5-15-12(10-3-6-16-9-10)8-13-11(14)4-7-17-13/h3-4,6-7,9,12,15H,2,5,8H2,1H3.
What are the key properties of N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine?
N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 330.32 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 62602066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).