1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine

C14H21BrClNS — CID 80530913

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine
SMILESCNC(CCC1CCCCC1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C14H21BrClNS/c1-17-12(13-9-11(16)14(15)18-13)8-7-10-5-3-2-4-6-10/h9-10,12,17H,2-8H2,1H3
InChIKeyRRMJLOYLMVCYJK-UHFFFAOYSA-N
MW350.75 g/mol
LogP5.78
Rot. Bonds5

About 1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine

1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine (PubChem CID 80530913) has the molecular formula C14H21BrClNS and a molecular weight of 350.75 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine
PubChem CID80530913
Molecular FormulaC14H21BrClNS
Molecular Weight350.75 g/mol
Exact Mass349.03
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine
SMILESCNC(CCC1CCCCC1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C14H21BrClNS/c1-17-12(13-9-11(16)14(15)18-13)8-7-10-5-3-2-4-6-10/h9-10,12,17H,2-8H2,1H3
InChIKeyRRMJLOYLMVCYJK-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.75
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-propylpropan-1-amine
CID 80532261
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine
CID 80531325
1-(5-chloro-4-methylthiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine
CID 102763726
N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine
CID 114457743
1-(5-bromo-4-chlorothiophen-2-yl)-1-cyclooctyl-N-methylmethanamine
CID 80531200
1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 102828573
2-(1-adamantyl)-1-(5-bromo-4-chlorothiophen-2-yl)-N-methylethanamine
CID 80530866
3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)-N-methylpropan-1-amine
CID 107968452
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine
CID 80530689
1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 114874548
1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine
CID 114192091
3-cyclohexyl-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 43484245

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine (CID 80530913) is 1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine is CNC(CCC1CCCCC1)c1cc(Cl)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine?
The InChIKey is RRMJLOYLMVCYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClNS/c1-17-12(13-9-11(16)14(15)18-13)8-7-10-5-3-2-4-6-10/h9-10,12,17H,2-8H2,1H3.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine?
1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine has a molecular weight of 350.75 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine is sourced from PubChem (CID 80530913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).