2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine

C13H18BrF2NS — CID 105139327

IUPAC2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)cs1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H18BrF2NS/c1-17-12(7-11-6-10(14)8-18-11)9-2-4-13(15,16)5-3-9/h6,8-9,12,17H,2-5,7H2,1H3
InChIKeyMHZCXRFGYMUJRQ-UHFFFAOYSA-N
MW338.26 g/mol
LogP4.47
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine

2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine (PubChem CID 105139327) has the molecular formula C13H18BrF2NS and a molecular weight of 338.26 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
PubChem CID105139327
Molecular FormulaC13H18BrF2NS
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC Name2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)cs1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H18BrF2NS/c1-17-12(7-11-6-10(14)8-18-11)9-2-4-13(15,16)5-3-9/h6,8-9,12,17H,2-5,7H2,1H3
InChIKeyMHZCXRFGYMUJRQ-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine with MolForge

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65389662
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(4-bromothiophen-2-yl)-N-methylethanamine
CID 115847876
2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 65411023
[2-(4-bromothiophen-2-yl)-1-cyclopentylethyl]hydrazine
CID 105204458
2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105181039
N-[2-(4-bromothiophen-2-yl)-1-cyclooctylethyl]propan-1-amine
CID 80611200
2-(1-benzothiophen-3-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105116915
[2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229739
4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene
CID 112570643
2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 115848042
2-(4-bromothiophen-2-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115847589
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105161027

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine (CID 105139327) is 2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine is CNC(Cc1cc(Br)cs1)C1CCC(F)(F)CC1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine?
The InChIKey is MHZCXRFGYMUJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrF2NS/c1-17-12(7-11-6-10(14)8-18-11)9-2-4-13(15,16)5-3-9/h6,8-9,12,17H,2-5,7H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine?
2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine has a molecular weight of 338.26 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine is sourced from PubChem (CID 105139327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).