N-[1-(1-benzothiophen-2-yl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine

C17H18BrNS2 — CID 115849242

IUPACN-[1-(1-benzothiophen-2-yl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1sccc1Br)c1cc2ccccc2s1
InChIInChI=1S/C17H18BrNS2/c1-2-8-19-14(11-16-13(18)7-9-20-16)17-10-12-5-3-4-6-15(12)21-17/h3-7,9-10,14,19H,2,8,11H2,1H3
InChIKeyOZFUZXDCOYXECC-UHFFFAOYSA-N
MW380.38 g/mol
LogP6.01
Rot. Bonds6

About N-[1-(1-benzothiophen-2-yl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine

N-[1-(1-benzothiophen-2-yl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine (PubChem CID 115849242) has the molecular formula C17H18BrNS2 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-2-yl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-2-yl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine
PubChem CID115849242
Molecular FormulaC17H18BrNS2
Molecular Weight380.38 g/mol
Exact Mass379.01
IUPAC NameN-[1-(1-benzothiophen-2-yl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1sccc1Br)c1cc2ccccc2s1
InChIInChI=1S/C17H18BrNS2/c1-2-8-19-14(11-16-13(18)7-9-20-16)17-10-12-5-3-4-6-15(12)21-17/h3-7,9-10,14,19H,2,8,11H2,1H3
InChIKeyOZFUZXDCOYXECC-UHFFFAOYSA-N
XLogP6.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.38
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-bromothiophen-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62608324
1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine
CID 114980128
1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine
CID 115778262
N-[2-(3-bromothiophen-2-yl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522485
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 114330808
N-[1-(1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064472
N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62602066
N-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 63414681
1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 115847850
N-[2-(3-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine
CID 115849219
N-[2-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 63412597
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-[1-(1-benzothiophen-2-yl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-benzothiophen-2-yl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine (CID 115849242) is N-[1-(1-benzothiophen-2-yl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-benzothiophen-2-yl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-benzothiophen-2-yl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1sccc1Br)c1cc2ccccc2s1.
What is the InChIKey of N-[1-(1-benzothiophen-2-yl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is OZFUZXDCOYXECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNS2/c1-2-8-19-14(11-16-13(18)7-9-20-16)17-10-12-5-3-4-6-15(12)21-17/h3-7,9-10,14,19H,2,8,11H2,1H3.
What are the key properties of N-[1-(1-benzothiophen-2-yl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine?
N-[1-(1-benzothiophen-2-yl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 380.38 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-2-yl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115849242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).