2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine

C18H22BrNS — CID 63417537

IUPAC2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine
SMILESCNC(Cc1sccc1Br)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H22BrNS/c1-20-17(13-16-15(19)9-12-21-16)18(10-5-6-11-18)14-7-3-2-4-8-14/h2-4,7-9,12,17,20H,5-6,10-11,13H2,1H3
InChIKeyOBVMWVOSNGQLHB-UHFFFAOYSA-N
MW364.35 g/mol
LogP5.15
Rot. Bonds5

About 2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine

2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine (PubChem CID 63417537) has the molecular formula C18H22BrNS and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine
PubChem CID63417537
Molecular FormulaC18H22BrNS
Molecular Weight364.35 g/mol
Exact Mass363.07
IUPAC Name2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine
SMILESCNC(Cc1sccc1Br)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H22BrNS/c1-20-17(13-16-15(19)9-12-21-16)18(10-5-6-11-18)14-7-3-2-4-8-14/h2-4,7-9,12,17,20H,5-6,10-11,13H2,1H3
InChIKeyOBVMWVOSNGQLHB-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.35
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)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-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine
CID 63417620
2-(3-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine
CID 63417719
2-(2-bromophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 63080919
N,3-dimethyl-1-(1-phenylcyclopentyl)pentan-1-amine
CID 55187965
2-(3-bromothiophen-2-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116766449
2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine
CID 116762214
1-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79064069
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 63078622
2-(3-bromothiophen-2-yl)-1-(1-methylcyclopentyl)ethanol
CID 115790909
N-methyl-1-(1-phenylcyclopentyl)pent-3-yn-1-amine
CID 63079369
2-cyclopropyl-N-methyl-1-(1-phenylcyclohexyl)ethanamine
CID 64904456
2-(4-iodophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 65477303

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine (CID 63417537) is 2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine is CNC(Cc1sccc1Br)C1(c2ccccc2)CCCC1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine?
The InChIKey is OBVMWVOSNGQLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNS/c1-20-17(13-16-15(19)9-12-21-16)18(10-5-6-11-18)14-7-3-2-4-8-14/h2-4,7-9,12,17,20H,5-6,10-11,13H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine?
2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine has a molecular weight of 364.35 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine is sourced from PubChem (CID 63417537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).