2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine

C14H20ClNOS — CID 107136522

IUPAC2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
SMILESCNC(CSc1ccc(Cl)cc1)C1CCCOC1
InChIInChI=1S/C14H20ClNOS/c1-16-14(11-3-2-8-17-9-11)10-18-13-6-4-12(15)5-7-13/h4-7,11,14,16H,2-3,8-10H2,1H3
InChIKeyXYMTZHKCNUZVES-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.45
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine

2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine (PubChem CID 107136522) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
PubChem CID107136522
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
SMILESCNC(CSc1ccc(Cl)cc1)C1CCCOC1
InChIInChI=1S/C14H20ClNOS/c1-16-14(11-3-2-8-17-9-11)10-18-13-6-4-12(15)5-7-13/h4-7,11,14,16H,2-3,8-10H2,1H3
InChIKeyXYMTZHKCNUZVES-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
CID 107136499
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 66144743
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755241
2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine
CID 107139197
[2-(4-methylphenyl)sulfanyl-1-(oxan-3-yl)ethyl]hydrazine
CID 107139592
1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755248
1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066194
2-(4-tert-butylphenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
CID 104755455
2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
CID 63015076
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 112653793
2-(4-chlorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66144366
2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine
CID 66147681

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine (CID 107136522) is 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine is CNC(CSc1ccc(Cl)cc1)C1CCCOC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine?
The InChIKey is XYMTZHKCNUZVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-16-14(11-3-2-8-17-9-11)10-18-13-6-4-12(15)5-7-13/h4-7,11,14,16H,2-3,8-10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine?
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine has a molecular weight of 285.84 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine is sourced from PubChem (CID 107136522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).