2-(4-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine

C17H19BrN2S — CID 79739422

IUPAC2-(4-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
SMILESCNC(CSc1ccc(Br)cc1)C1CCc2cccnc21
InChIInChI=1S/C17H19BrN2S/c1-19-16(11-21-14-7-5-13(18)6-8-14)15-9-4-12-3-2-10-20-17(12)15/h2-3,5-8,10,15-16,19H,4,9,11H2,1H3
InChIKeyCMLRWNYCYRCXFF-UHFFFAOYSA-N
MW363.32 g/mol
LogP4.25
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine

2-(4-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine (PubChem CID 79739422) has the molecular formula C17H19BrN2S and a molecular weight of 363.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
PubChem CID79739422
Molecular FormulaC17H19BrN2S
Molecular Weight363.32 g/mol
Exact Mass362.05
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
SMILESCNC(CSc1ccc(Br)cc1)C1CCc2cccnc21
InChIInChI=1S/C17H19BrN2S/c1-19-16(11-21-14-7-5-13(18)6-8-14)15-9-4-12-3-2-10-20-17(12)15/h2-3,5-8,10,15-16,19H,4,9,11H2,1H3
InChIKeyCMLRWNYCYRCXFF-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine 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-chlorophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 79740250
2-(2-chlorophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 79740247
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-phenylsulfanylethanamine
CID 79739728
[2-(3-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethyl]hydrazine
CID 105238416
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-phenylethanamine
CID 79747873
1-(4-bromo-3,5-dimethylphenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 114330478
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-3-phenylpropan-1-amine
CID 79748593
1-(3-bromo-4-methylphenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 105009845
1-(3-bromo-5-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 107946316
2-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 79732112
2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 79748582
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine (CID 79739422) is 2-(4-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine is CNC(CSc1ccc(Br)cc1)C1CCc2cccnc21.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine?
The InChIKey is CMLRWNYCYRCXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2S/c1-19-16(11-21-14-7-5-13(18)6-8-14)15-9-4-12-3-2-10-20-17(12)15/h2-3,5-8,10,15-16,19H,4,9,11H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine?
2-(4-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine has a molecular weight of 363.32 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine is sourced from PubChem (CID 79739422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).