2-(3-bromophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine

C17H19BrN2S — CID 79740454

IUPAC2-(3-bromophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine
SMILESNC(CSc1cccc(Br)c1)C1CCCc2cccnc21
InChIInChI=1S/C17H19BrN2S/c18-13-6-2-7-14(10-13)21-11-16(19)15-8-1-4-12-5-3-9-20-17(12)15/h2-3,5-7,9-10,15-16H,1,4,8,11,19H2
InChIKeyZSAVCTJQIULVEN-UHFFFAOYSA-N
MW363.32 g/mol
LogP4.38
Rot. Bonds4

About 2-(3-bromophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine

2-(3-bromophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine (PubChem CID 79740454) has the molecular formula C17H19BrN2S and a molecular weight of 363.32 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine
PubChem CID79740454
Molecular FormulaC17H19BrN2S
Molecular Weight363.32 g/mol
Exact Mass362.05
IUPAC Name2-(3-bromophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine
SMILESNC(CSc1cccc(Br)c1)C1CCCc2cccnc21
InChIInChI=1S/C17H19BrN2S/c18-13-6-2-7-14(10-13)21-11-16(19)15-8-1-4-12-5-3-9-20-17(12)15/h2-3,5-7,9-10,15-16H,1,4,8,11,19H2
InChIKeyZSAVCTJQIULVEN-UHFFFAOYSA-N
XLogP4.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethyl]hydrazine
CID 105238416
(4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79745613
1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
CID 79748417
1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-amine
CID 105007437
(2-bromo-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007461
(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79731976
2-(4-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine
CID 79748660
2,3-dihydro-1H-inden-5-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007339
(3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 106695855
N-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81372732
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 107946281
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine (CID 79740454) is 2-(3-bromophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine is NC(CSc1cccc(Br)c1)C1CCCc2cccnc21.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine?
The InChIKey is ZSAVCTJQIULVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2S/c18-13-6-2-7-14(10-13)21-11-16(19)15-8-1-4-12-5-3-9-20-17(12)15/h2-3,5-7,9-10,15-16H,1,4,8,11,19H2.
What are the key properties of 2-(3-bromophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine?
2-(3-bromophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine has a molecular weight of 363.32 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine is sourced from PubChem (CID 79740454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).