N-[2-cyclohexylsulfanyl-1-(2,5-dichlorophenyl)ethyl]propan-1-amine

C17H25Cl2NS — CID 65144498

IUPACN-[2-cyclohexylsulfanyl-1-(2,5-dichlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(CSC1CCCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H25Cl2NS/c1-2-10-20-17(12-21-14-6-4-3-5-7-14)15-11-13(18)8-9-16(15)19/h8-9,11,14,17,20H,2-7,10,12H2,1H3
InChIKeyPIEYNOXBDJEJPS-UHFFFAOYSA-N
MW346.37 g/mol
LogP6.10
Rot. Bonds7

About N-[2-cyclohexylsulfanyl-1-(2,5-dichlorophenyl)ethyl]propan-1-amine

N-[2-cyclohexylsulfanyl-1-(2,5-dichlorophenyl)ethyl]propan-1-amine (PubChem CID 65144498) has the molecular formula C17H25Cl2NS and a molecular weight of 346.37 g/mol. Its IUPAC name is N-[2-cyclohexylsulfanyl-1-(2,5-dichlorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclohexylsulfanyl-1-(2,5-dichlorophenyl)ethyl]propan-1-amine
PubChem CID65144498
Molecular FormulaC17H25Cl2NS
Molecular Weight346.37 g/mol
Exact Mass345.11
IUPAC NameN-[2-cyclohexylsulfanyl-1-(2,5-dichlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(CSC1CCCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H25Cl2NS/c1-2-10-20-17(12-21-14-6-4-3-5-7-14)15-11-13(18)8-9-16(15)19/h8-9,11,14,17,20H,2-7,10,12H2,1H3
InChIKeyPIEYNOXBDJEJPS-UHFFFAOYSA-N
XLogP6.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.37
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 65138511
N-[2-cyclopentylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine
CID 65140573
N-[2-cyclohexylsulfanyl-1-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 65144595
2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol
CID 60981166
N-[2-cyclohexylsulfanyl-1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 107128784
2-cyclohexylsulfanyl-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65144633
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
[1-(2-chloro-5-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine
CID 105397841
3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine
CID 65144255
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 65144292
N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine
CID 64628015
N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine
CID 106653177

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexylsulfanyl-1-(2,5-dichlorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclohexylsulfanyl-1-(2,5-dichlorophenyl)ethyl]propan-1-amine (CID 65144498) is N-[2-cyclohexylsulfanyl-1-(2,5-dichlorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclohexylsulfanyl-1-(2,5-dichlorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclohexylsulfanyl-1-(2,5-dichlorophenyl)ethyl]propan-1-amine is CCCNC(CSC1CCCCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[2-cyclohexylsulfanyl-1-(2,5-dichlorophenyl)ethyl]propan-1-amine?
The InChIKey is PIEYNOXBDJEJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NS/c1-2-10-20-17(12-21-14-6-4-3-5-7-14)15-11-13(18)8-9-16(15)19/h8-9,11,14,17,20H,2-7,10,12H2,1H3.
What are the key properties of N-[2-cyclohexylsulfanyl-1-(2,5-dichlorophenyl)ethyl]propan-1-amine?
N-[2-cyclohexylsulfanyl-1-(2,5-dichlorophenyl)ethyl]propan-1-amine has a molecular weight of 346.37 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexylsulfanyl-1-(2,5-dichlorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 65144498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).