2-(4-bromophenyl)-2-cyclohexylsulfanylethanamine

C14H20BrNS — CID 55015755

IUPAC2-(4-bromophenyl)-2-cyclohexylsulfanylethanamine
SMILESNCC(SC1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNS/c15-12-8-6-11(7-9-12)14(10-16)17-13-4-2-1-3-5-13/h6-9,13-14H,1-5,10,16H2
InChIKeyNRASAMZGZSWARI-UHFFFAOYSA-N
MW314.29 g/mol
LogP4.51
Rot. Bonds4

About 2-(4-bromophenyl)-2-cyclohexylsulfanylethanamine

2-(4-bromophenyl)-2-cyclohexylsulfanylethanamine (PubChem CID 55015755) has the molecular formula C14H20BrNS and a molecular weight of 314.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-cyclohexylsulfanylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-cyclohexylsulfanylethanamine
PubChem CID55015755
Molecular FormulaC14H20BrNS
Molecular Weight314.29 g/mol
Exact Mass313.05
IUPAC Name2-(4-bromophenyl)-2-cyclohexylsulfanylethanamine
SMILESNCC(SC1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNS/c15-12-8-6-11(7-9-12)14(10-16)17-13-4-2-1-3-5-13/h6-9,13-14H,1-5,10,16H2
InChIKeyNRASAMZGZSWARI-UHFFFAOYSA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-cyclohexylsulfanylethanamine?
The IUPAC name of 2-(4-bromophenyl)-2-cyclohexylsulfanylethanamine (CID 55015755) is 2-(4-bromophenyl)-2-cyclohexylsulfanylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-2-cyclohexylsulfanylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-2-cyclohexylsulfanylethanamine is NCC(SC1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-cyclohexylsulfanylethanamine?
The InChIKey is NRASAMZGZSWARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNS/c15-12-8-6-11(7-9-12)14(10-16)17-13-4-2-1-3-5-13/h6-9,13-14H,1-5,10,16H2.
What are the key properties of 2-(4-bromophenyl)-2-cyclohexylsulfanylethanamine?
2-(4-bromophenyl)-2-cyclohexylsulfanylethanamine has a molecular weight of 314.29 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-cyclohexylsulfanylethanamine is sourced from PubChem (CID 55015755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).