5-ethyl-2-[2-(methylaminomethyl)phenyl]sulfanylaniline

C16H20N2S — CID 11346324

IUPAC5-ethyl-2-[2-(methylaminomethyl)phenyl]sulfanylaniline
SMILESCCc1ccc(Sc2ccccc2CNC)c(N)c1
InChIInChI=1S/C16H20N2S/c1-3-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18-2/h4-10,18H,3,11,17H2,1-2H3
InChIKeyXIVFNOGFYONSDE-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.70
Rot. Bonds5

About 5-ethyl-2-[2-(methylaminomethyl)phenyl]sulfanylaniline

5-ethyl-2-[2-(methylaminomethyl)phenyl]sulfanylaniline (PubChem CID 11346324) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 5-ethyl-2-[2-(methylaminomethyl)phenyl]sulfanylaniline.

Molecular Properties

Compound Name5-ethyl-2-[2-(methylaminomethyl)phenyl]sulfanylaniline
PubChem CID11346324
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name5-ethyl-2-[2-(methylaminomethyl)phenyl]sulfanylaniline
SMILESCCc1ccc(Sc2ccccc2CNC)c(N)c1
InChIInChI=1S/C16H20N2S/c1-3-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18-2/h4-10,18H,3,11,17H2,1-2H3
InChIKeyXIVFNOGFYONSDE-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(methylaminomethyl)phenyl]sulfanyl-5-(trifluoromethyl)aniline
CID 10828902
[3-amino-4-[4-fluoro-2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol
CID 24773642
2-[2-[(dimethylamino)methyl]phenyl]sulfanyl-5-(2-fluoroethyl)aniline
CID 11483535
3-[2-(methylaminomethyl)phenyl]sulfanyl-1-benzothiophen-5-amine
CID 69116575
5-ethyl-2-(4-iodophenyl)sulfanylaniline
CID 91878146
1-ethyl-2-(2-ethylphenyl)sulfanylbenzene
CID 19792412
N-methyl-1-(2-pyrimidin-2-ylsulfanylphenyl)methanamine
CID 63804628
[3-amino-4-[2-[(dimethylamino)methyl]phenyl]sulfanylphenyl]methanol;oxalic acid
CID 146079399
1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 63808082
3-amino-4-[2-(aminomethyl)phenyl]sulfanylbenzonitrile
CID 90798884
1-[5-chloro-2-(2-methylphenyl)sulfanylphenyl]-N-methylmethanamine
CID 114864440
3-amino-4-[2-(chloromethyl)phenyl]sulfanylbenzonitrile
CID 10638751

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[2-(methylaminomethyl)phenyl]sulfanylaniline?
The IUPAC name of 5-ethyl-2-[2-(methylaminomethyl)phenyl]sulfanylaniline (CID 11346324) is 5-ethyl-2-[2-(methylaminomethyl)phenyl]sulfanylaniline.
What is the SMILES notation for 5-ethyl-2-[2-(methylaminomethyl)phenyl]sulfanylaniline?
The canonical SMILES for 5-ethyl-2-[2-(methylaminomethyl)phenyl]sulfanylaniline is CCc1ccc(Sc2ccccc2CNC)c(N)c1.
What is the InChIKey of 5-ethyl-2-[2-(methylaminomethyl)phenyl]sulfanylaniline?
The InChIKey is XIVFNOGFYONSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-3-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18-2/h4-10,18H,3,11,17H2,1-2H3.
What are the key properties of 5-ethyl-2-[2-(methylaminomethyl)phenyl]sulfanylaniline?
5-ethyl-2-[2-(methylaminomethyl)phenyl]sulfanylaniline has a molecular weight of 272.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[2-(methylaminomethyl)phenyl]sulfanylaniline is sourced from PubChem (CID 11346324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).