1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine

C16H18ClNS — CID 66099055

IUPAC1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1ccccc1C)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNS/c1-12-5-3-4-6-16(12)19-11-15(18-2)13-7-9-14(17)10-8-13/h3-10,15,18H,11H2,1-2H3
InChIKeyCGWXRYAXWYZKRF-UHFFFAOYSA-N
MW291.85 g/mol
LogP4.70
Rot. Bonds5

About 1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine

1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine (PubChem CID 66099055) has the molecular formula C16H18ClNS and a molecular weight of 291.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
PubChem CID66099055
Molecular FormulaC16H18ClNS
Molecular Weight291.85 g/mol
Exact Mass291.08
IUPAC Name1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1ccccc1C)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNS/c1-12-5-3-4-6-16(12)19-11-15(18-2)13-7-9-14(17)10-8-13/h3-10,15,18H,11H2,1-2H3
InChIKeyCGWXRYAXWYZKRF-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.85
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 107560397
1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 64649870
N-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66096332
1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395120
[2-(2-methylphenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105237305
1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine
CID 64619889
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine
CID 64620494
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 64648242
1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096546
1-(4-chlorophenyl)-2-fluoro-N-methylethanamine
CID 83817763
4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine
CID 66098635
2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66140551

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine (CID 66099055) is 1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine is CNC(CSc1ccccc1C)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine?
The InChIKey is CGWXRYAXWYZKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNS/c1-12-5-3-4-6-16(12)19-11-15(18-2)13-7-9-14(17)10-8-13/h3-10,15,18H,11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine?
1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine has a molecular weight of 291.85 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 66099055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).