2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine

C16H23Cl2NS — CID 64620847

IUPAC2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H23Cl2NS/c1-3-8-19-14-7-4-11(2)9-16(14)20-15-10-12(17)5-6-13(15)18/h5-6,10-11,14,16,19H,3-4,7-9H2,1-2H3
InChIKeyGKSKYOLWTCPDKB-UHFFFAOYSA-N
MW332.34 g/mol
LogP5.64
Rot. Bonds5

About 2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine

2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine (PubChem CID 64620847) has the molecular formula C16H23Cl2NS and a molecular weight of 332.34 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine
PubChem CID64620847
Molecular FormulaC16H23Cl2NS
Molecular Weight332.34 g/mol
Exact Mass331.09
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H23Cl2NS/c1-3-8-19-14-7-4-11(2)9-16(14)20-15-10-12(17)5-6-13(15)18/h5-6,10-11,14,16,19H,3-4,7-9H2,1-2H3
InChIKeyGKSKYOLWTCPDKB-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.34
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine
CID 114001243
3-(2,5-dichlorophenyl)-2-methyl-N-propylcyclobutan-1-amine
CID 81417802
2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine
CID 115477286
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine
CID 64633026
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylcyclohexan-1-amine
CID 55026692
N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 64774730
2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 114792660
2-(2,5-difluorophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64648677
3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine
CID 115477312
2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol
CID 64615464
2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 64613092
3-(4-chlorophenyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64908355

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine (CID 64620847) is 2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine?
The InChIKey is GKSKYOLWTCPDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NS/c1-3-8-19-14-7-4-11(2)9-16(14)20-15-10-12(17)5-6-13(15)18/h5-6,10-11,14,16,19H,3-4,7-9H2,1-2H3.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine?
2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine has a molecular weight of 332.34 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64620847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).