1-(3-bromothiophen-2-yl)-2-quinolin-4-ylethanamine

C15H13BrN2S — CID 104997455

IUPAC1-(3-bromothiophen-2-yl)-2-quinolin-4-ylethanamine
SMILESNC(Cc1ccnc2ccccc12)c1sccc1Br
InChIInChI=1S/C15H13BrN2S/c16-12-6-8-19-15(12)13(17)9-10-5-7-18-14-4-2-1-3-11(10)14/h1-8,13H,9,17H2
InChIKeyKTTPGZDEGIRXTF-UHFFFAOYSA-N
MW333.25 g/mol
LogP4.30
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-2-quinolin-4-ylethanamine

1-(3-bromothiophen-2-yl)-2-quinolin-4-ylethanamine (PubChem CID 104997455) has the molecular formula C15H13BrN2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-quinolin-4-ylethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-quinolin-4-ylethanamine
PubChem CID104997455
Molecular FormulaC15H13BrN2S
Molecular Weight333.25 g/mol
Exact Mass332.00
IUPAC Name1-(3-bromothiophen-2-yl)-2-quinolin-4-ylethanamine
SMILESNC(Cc1ccnc2ccccc12)c1sccc1Br
InChIInChI=1S/C15H13BrN2S/c16-12-6-8-19-15(12)13(17)9-10-5-7-18-14-4-2-1-3-11(10)14/h1-8,13H,9,17H2
InChIKeyKTTPGZDEGIRXTF-UHFFFAOYSA-N
XLogP4.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997403
1-(2-bromo-4-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997439
1-(2-iodophenyl)-2-quinolin-4-ylethanamine
CID 104997408
1-(4-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997339
1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine
CID 104997404
[1-(3-methoxythiophen-2-yl)-2-quinolin-4-ylethyl]hydrazine
CID 105316397
1-(3-ethylthiophen-2-yl)-N-methyl-2-quinolin-4-ylethanamine
CID 104997344
1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506218
1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine
CID 63797585
1-(2,5-dimethylpyrazol-3-yl)-2-quinolin-4-ylethanamine
CID 105159324
2-(2-bromo-4-fluorophenyl)-1-quinolin-4-ylethanamine
CID 105136391
1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine
CID 104997384

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-quinolin-4-ylethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-quinolin-4-ylethanamine (CID 104997455) is 1-(3-bromothiophen-2-yl)-2-quinolin-4-ylethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-quinolin-4-ylethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-quinolin-4-ylethanamine is NC(Cc1ccnc2ccccc12)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-quinolin-4-ylethanamine?
The InChIKey is KTTPGZDEGIRXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2S/c16-12-6-8-19-15(12)13(17)9-10-5-7-18-14-4-2-1-3-11(10)14/h1-8,13H,9,17H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-quinolin-4-ylethanamine?
1-(3-bromothiophen-2-yl)-2-quinolin-4-ylethanamine has a molecular weight of 333.25 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-quinolin-4-ylethanamine is sourced from PubChem (CID 104997455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).