2-(3-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine

C18H22BrNS — CID 63417719

IUPAC2-(3-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine
SMILESNC(Cc1sccc1Br)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C18H22BrNS/c19-15-9-12-21-16(15)13-17(20)18(10-5-2-6-11-18)14-7-3-1-4-8-14/h1,3-4,7-9,12,17H,2,5-6,10-11,13,20H2
InChIKeyAMPPCQOFSSZXGN-UHFFFAOYSA-N
MW364.35 g/mol
LogP5.28
Rot. Bonds4

About 2-(3-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine

2-(3-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine (PubChem CID 63417719) has the molecular formula C18H22BrNS and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine
PubChem CID63417719
Molecular FormulaC18H22BrNS
Molecular Weight364.35 g/mol
Exact Mass363.07
IUPAC Name2-(3-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine
SMILESNC(Cc1sccc1Br)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C18H22BrNS/c19-15-9-12-21-16(15)13-17(20)18(10-5-2-6-11-18)14-7-3-1-4-8-14/h1,3-4,7-9,12,17H,2,5-6,10-11,13,20H2
InChIKeyAMPPCQOFSSZXGN-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

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Related Compounds

2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine
CID 63417537
2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine
CID 63417582
2-(3-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine
CID 63417620
2-(2-bromophenyl)-1-(1-phenylcyclopentyl)ethanamine
CID 63417762
3-methyl-1-(1-phenylcyclopentyl)butan-1-amine
CID 63080300
2-(3-bromothiophen-2-yl)-1-(1-methylcyclopentyl)ethanol
CID 115790909
2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116768615
1-(1-phenylcyclohexyl)-2-propan-2-yloxyethanamine
CID 79574267
[1-[(3-bromothiophen-2-yl)methyl]cyclohexyl]methanamine
CID 62724489
2-(3-bromothiophen-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 115849224
1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine
CID 105139457
(1R)-1-(1-phenylcyclohexyl)ethanamine
CID 78998571

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine (CID 63417719) is 2-(3-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine is NC(Cc1sccc1Br)C1(c2ccccc2)CCCCC1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine?
The InChIKey is AMPPCQOFSSZXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNS/c19-15-9-12-21-16(15)13-17(20)18(10-5-2-6-11-18)14-7-3-1-4-8-14/h1,3-4,7-9,12,17H,2,5-6,10-11,13,20H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine?
2-(3-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-(3-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine is sourced from PubChem (CID 63417719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).