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

C13H16ClN3S — CID 66144356

IUPAC2-(4-chlorophenyl)sulfanyl-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
SMILESCNC(CSc1ccc(Cl)cc1)c1nccn1C
InChIInChI=1S/C13H16ClN3S/c1-15-12(13-16-7-8-17(13)2)9-18-11-5-3-10(14)4-6-11/h3-8,12,15H,9H2,1-2H3
InChIKeyFCUSBLRLTBYTAN-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.13
Rot. Bonds5

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

2-(4-chlorophenyl)sulfanyl-N-methyl-1-(1-methylimidazol-2-yl)ethanamine (PubChem CID 66144356) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
PubChem CID66144356
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
SMILESCNC(CSc1ccc(Cl)cc1)c1nccn1C
InChIInChI=1S/C13H16ClN3S/c1-15-12(13-16-7-8-17(13)2)9-18-11-5-3-10(14)4-6-11/h3-8,12,15H,9H2,1-2H3
InChIKeyFCUSBLRLTBYTAN-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methylimidazol-2-yl)-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066993
2-(4-chlorophenyl)sulfanyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 66145138
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(4-chlorophenyl)sulfanyl-N-methylethanamine
CID 114656283
2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide
CID 124754507
1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79752060
2-(3-chlorophenoxy)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
CID 105149496
N-methyl-1-(1-methylimidazol-2-yl)-2-phenylethanamine
CID 63976862
3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
CID 63975168
N-[2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 66161600
N-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine
CID 66097173
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 24535478
1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011597

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(1-methylimidazol-2-yl)ethanamine (CID 66144356) is 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(1-methylimidazol-2-yl)ethanamine is CNC(CSc1ccc(Cl)cc1)c1nccn1C.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is FCUSBLRLTBYTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-15-12(13-16-7-8-17(13)2)9-18-11-5-3-10(14)4-6-11/h3-8,12,15H,9H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(1-methylimidazol-2-yl)ethanamine?
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 281.81 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 66144356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).