2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine

C18H22BrNS — CID 63417582

IUPAC2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine
SMILESNC(Cc1ccc(Br)s1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C18H22BrNS/c19-17-10-9-15(21-17)13-16(20)18(11-5-2-6-12-18)14-7-3-1-4-8-14/h1,3-4,7-10,16H,2,5-6,11-13,20H2
InChIKeySCKBHIKZOHHRKP-UHFFFAOYSA-N
MW364.35 g/mol
LogP5.28
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine

2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine (PubChem CID 63417582) has the molecular formula C18H22BrNS and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine
PubChem CID63417582
Molecular FormulaC18H22BrNS
Molecular Weight364.35 g/mol
Exact Mass363.07
IUPAC Name2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine
SMILESNC(Cc1ccc(Br)s1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C18H22BrNS/c19-17-10-9-15(21-17)13-16(20)18(11-5-2-6-12-18)14-7-3-1-4-8-14/h1,3-4,7-10,16H,2,5-6,11-13,20H2
InChIKeySCKBHIKZOHHRKP-UHFFFAOYSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.35
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)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-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanol
CID 63414703
2-(5-bromothiophen-2-yl)-1-(1-phenylcyclopentyl)ethanol
CID 63414129
2-(3-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine
CID 63417719
2-(2-bromophenyl)-1-(1-phenylcyclopentyl)ethanamine
CID 63417762
2-(5-bromothiophen-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine
CID 79060633
2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone
CID 63410287
1-[2-(5-bromothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451857
1-(1-phenylcyclohexyl)pent-3-yn-1-amine
CID 63079549
1-(1-phenylcyclohexyl)-2-propan-2-yloxyethanamine
CID 79574267
1-(1-phenylcyclohexyl)octan-1-amine
CID 63417810
(1R)-1-(1-phenylcyclohexyl)ethanamine
CID 78998571
3-methyl-1-(1-phenylcyclopentyl)butan-1-amine
CID 63080300

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine (CID 63417582) is 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine is NC(Cc1ccc(Br)s1)C1(c2ccccc2)CCCCC1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine?
The InChIKey is SCKBHIKZOHHRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNS/c19-17-10-9-15(21-17)13-16(20)18(11-5-2-6-12-18)14-7-3-1-4-8-14/h1,3-4,7-10,16H,2,5-6,11-13,20H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine?
2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine has a molecular weight of 364.35 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine is sourced from PubChem (CID 63417582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).