2-(4-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine

C14H20BrNS — CID 64613900

IUPAC2-(4-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(Sc2ccc(Br)cc2)C1
InChIInChI=1S/C14H20BrNS/c1-2-10-3-8-13(16)14(9-10)17-12-6-4-11(15)5-7-12/h4-7,10,13-14H,2-3,8-9,16H2,1H3
InChIKeyYTVAARKMDCMEQS-UHFFFAOYSA-N
MW314.29 g/mol
LogP4.45
Rot. Bonds3

About 2-(4-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine

2-(4-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine (PubChem CID 64613900) has the molecular formula C14H20BrNS and a molecular weight of 314.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine
PubChem CID64613900
Molecular FormulaC14H20BrNS
Molecular Weight314.29 g/mol
Exact Mass313.05
IUPAC Name2-(4-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(Sc2ccc(Br)cc2)C1
InChIInChI=1S/C14H20BrNS/c1-2-10-3-8-13(16)14(9-10)17-12-6-4-11(15)5-7-12/h4-7,10,13-14H,2-3,8-9,16H2,1H3
InChIKeyYTVAARKMDCMEQS-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Bromophenyl)sulfanyl-2-(4-fluorophenyl)ethanamine
CID 55015421
1-(4-Bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-2-amine
CID 55015467
2-(4-Bromophenyl)sulfanyl-2-(2-fluorophenyl)ethanamine
CID 55018561
1-(4-Bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 55018607
2-(4-Bromophenyl)sulfanyl-2-(3-fluorophenyl)ethanamine
CID 55019350
1-(4-Bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine
CID 55019396
1-(4-Bromophenyl)sulfanyl-1-(4-fluorophenyl)butan-2-amine
CID 61617117
1-(4-Bromophenyl)sulfanyl-1-(3-fluorophenyl)butan-2-amine
CID 61617945
1-(4-Bromophenyl)sulfanyl-1-(2-fluorophenyl)butan-2-amine
CID 61622328
2-(2,4-Difluorophenyl)sulfanyl-4-ethylcyclohexan-1-amine
CID 64612657
2-(3,4-Difluorophenyl)sulfanyl-4-ethylcyclohexan-1-amine
CID 64613266
2-(2,4-Difluorophenyl)sulfanyl-4-propylcyclohexan-1-amine
CID 64614961

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine (CID 64613900) is 2-(4-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine is CCC1CCC(N)C(Sc2ccc(Br)cc2)C1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine?
The InChIKey is YTVAARKMDCMEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNS/c1-2-10-3-8-13(16)14(9-10)17-12-6-4-11(15)5-7-12/h4-7,10,13-14H,2-3,8-9,16H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine?
2-(4-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine has a molecular weight of 314.29 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 64613900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).