1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine

C17H26ClNOS — CID 65139555

IUPAC1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine
SMILESCNC(CSC1CCCCC1)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C17H26ClNOS/c1-19-15(12-21-16-6-4-3-5-7-16)11-13-10-14(18)8-9-17(13)20-2/h8-10,15-16,19H,3-7,11-12H2,1-2H3
InChIKeyHSADUUGEOKBYLX-UHFFFAOYSA-N
MW327.92 g/mol
LogP4.55
Rot. Bonds7

About 1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine

1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine (PubChem CID 65139555) has the molecular formula C17H26ClNOS and a molecular weight of 327.92 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine
PubChem CID65139555
Molecular FormulaC17H26ClNOS
Molecular Weight327.92 g/mol
Exact Mass327.14
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine
SMILESCNC(CSC1CCCCC1)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C17H26ClNOS/c1-19-15(12-21-16-6-4-3-5-7-16)11-13-10-14(18)8-9-17(13)20-2/h8-10,15-16,19H,3-7,11-12H2,1-2H3
InChIKeyHSADUUGEOKBYLX-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.92
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321248
1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine
CID 114855831
[1-cyclopentylsulfanyl-3-(2,5-dichlorophenyl)propan-2-yl]hydrazine
CID 105227623
2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188374
1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 112688271
1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine
CID 115845070
N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine
CID 63450398
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 65330019
N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine
CID 63413486
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine
CID 115844831
3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 63354851
1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 65479375

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine (CID 65139555) is 1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine is CNC(CSC1CCCCC1)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine?
The InChIKey is HSADUUGEOKBYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNOS/c1-19-15(12-21-16-6-4-3-5-7-16)11-13-10-14(18)8-9-17(13)20-2/h8-10,15-16,19H,3-7,11-12H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine?
1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine has a molecular weight of 327.92 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 65139555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).