1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine

C17H16BrNS2 — CID 43433745

IUPAC1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
SMILESCC(NCc1cc(-c2cccs2)cs1)c1cccc(Br)c1
InChIInChI=1S/C17H16BrNS2/c1-12(13-4-2-5-15(18)8-13)19-10-16-9-14(11-21-16)17-6-3-7-20-17/h2-9,11-12,19H,10H2,1H3
InChIKeyZJLAVTXCUKDUAG-UHFFFAOYSA-N
MW378.36 g/mol
LogP6.09
Rot. Bonds5

About 1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine

1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine (PubChem CID 43433745) has the molecular formula C17H16BrNS2 and a molecular weight of 378.36 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
PubChem CID43433745
Molecular FormulaC17H16BrNS2
Molecular Weight378.36 g/mol
Exact Mass376.99
IUPAC Name1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
SMILESCC(NCc1cc(-c2cccs2)cs1)c1cccc(Br)c1
InChIInChI=1S/C17H16BrNS2/c1-12(13-4-2-5-15(18)8-13)19-10-16-9-14(11-21-16)17-6-3-7-20-17/h2-9,11-12,19H,10H2,1H3
InChIKeyZJLAVTXCUKDUAG-UHFFFAOYSA-N
XLogP6.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.36
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433645
(1R)-1-(3-fluorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81369744
(1S)-1-(4-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81355528
1-(2-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433659
(1S)-1-(3-bromophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81380969
(1R)-1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81354936
1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433657
(1R)-1-(3-bromophenyl)-N-[(3-bromothiophen-2-yl)methyl]ethanamine
CID 81382475
2-[(4-thiophen-2-ylthiophen-2-yl)methylamino]propanoic acid
CID 54959776
1-(3-bromophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 43426705
4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
CID 103700932
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 28833552

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine (CID 43433745) is 1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine is CC(NCc1cc(-c2cccs2)cs1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The InChIKey is ZJLAVTXCUKDUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNS2/c1-12(13-4-2-5-15(18)8-13)19-10-16-9-14(11-21-16)17-6-3-7-20-17/h2-9,11-12,19H,10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine has a molecular weight of 378.36 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43433745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).