1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine

C14H19Cl2NS — CID 104755863

IUPAC1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine
SMILESNC(CSc1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C14H19Cl2NS/c15-12-7-6-11(8-13(12)16)18-9-14(17)10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,17H2
InChIKeyTXJVGCNYOLICON-UHFFFAOYSA-N
MW304.29 g/mol
LogP4.99
Rot. Bonds4

About 1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine

1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine (PubChem CID 104755863) has the molecular formula C14H19Cl2NS and a molecular weight of 304.29 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine
PubChem CID104755863
Molecular FormulaC14H19Cl2NS
Molecular Weight304.29 g/mol
Exact Mass303.06
IUPAC Name1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine
SMILESNC(CSc1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C14H19Cl2NS/c15-12-7-6-11(8-13(12)16)18-9-14(17)10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,17H2
InChIKeyTXJVGCNYOLICON-UHFFFAOYSA-N
XLogP4.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine?
The IUPAC name of 1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine (CID 104755863) is 1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine?
The canonical SMILES for 1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine is NC(CSc1ccc(Cl)c(Cl)c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine?
The InChIKey is TXJVGCNYOLICON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NS/c15-12-7-6-11(8-13(12)16)18-9-14(17)10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,17H2.
What are the key properties of 1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine?
1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine has a molecular weight of 304.29 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine is sourced from PubChem (CID 104755863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).