1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine

C13H19BrClNS — CID 102828089

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine
SMILESNC(CCC1CCCCC1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C13H19BrClNS/c14-10-8-12(17-13(10)15)11(16)7-6-9-4-2-1-3-5-9/h8-9,11H,1-7,16H2
InChIKeyPDNWIZYVFLLHHS-UHFFFAOYSA-N
MW336.73 g/mol
LogP5.52
Rot. Bonds4

About 1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine

1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine (PubChem CID 102828089) has the molecular formula C13H19BrClNS and a molecular weight of 336.73 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine
PubChem CID102828089
Molecular FormulaC13H19BrClNS
Molecular Weight336.73 g/mol
Exact Mass335.01
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine
SMILESNC(CCC1CCCCC1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C13H19BrClNS/c14-10-8-12(17-13(10)15)11(16)7-6-9-4-2-1-3-5-9/h8-9,11H,1-7,16H2
InChIKeyPDNWIZYVFLLHHS-UHFFFAOYSA-N
XLogP5.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.73
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 102827024
1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 102828573
1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 79992064
3-bromo-2-chloro-5-(1-chloro-2-cycloheptylethyl)thiophene
CID 102836528
1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 61103011
2-cycloheptyl-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 114457744
2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide
CID 102828964
3-bromo-2-chloro-5-[chloro(cyclooctyl)methyl]thiophene
CID 102836286
3-bromo-5-[bromo(cyclooctyl)methyl]-2-chlorothiophene
CID 102836764
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclobutylethanol
CID 103165549
3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine
CID 43167433
1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 114193144

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine (CID 102828089) is 1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine is NC(CCC1CCCCC1)c1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine?
The InChIKey is PDNWIZYVFLLHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClNS/c14-10-8-12(17-13(10)15)11(16)7-6-9-4-2-1-3-5-9/h8-9,11H,1-7,16H2.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine?
1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine has a molecular weight of 336.73 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine is sourced from PubChem (CID 102828089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).