2-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-N-methylaniline

C18H25N3S — CID 71033806

IUPAC2-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-N-methylaniline
SMILESCCSCCN(Cc1ccccn1)Cc1ccccc1NC
InChIInChI=1S/C18H25N3S/c1-3-22-13-12-21(15-17-9-6-7-11-20-17)14-16-8-4-5-10-18(16)19-2/h4-11,19H,3,12-15H2,1-2H3
InChIKeyLIDSHDKDZBATML-UHFFFAOYSA-N
MW315.49 g/mol
LogP3.88
Rot. Bonds9

About 2-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-N-methylaniline

2-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-N-methylaniline (PubChem CID 71033806) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is 2-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-N-methylaniline.

Molecular Properties

Compound Name2-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-N-methylaniline
PubChem CID71033806
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC Name2-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-N-methylaniline
SMILESCCSCCN(Cc1ccccn1)Cc1ccccc1NC
InChIInChI=1S/C18H25N3S/c1-3-22-13-12-21(15-17-9-6-7-11-20-17)14-16-8-4-5-10-18(16)19-2/h4-11,19H,3,12-15H2,1-2H3
InChIKeyLIDSHDKDZBATML-UHFFFAOYSA-N
XLogP3.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]phenol
CID 102049736
2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-bromo-N-methylaniline
CID 71033744
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
2-(diethylaminomethyl)-N-methylaniline
CID 23009383
2-[4-[[2-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2,7-difluoro-3-hydroxy-6-oxoxanthen-9-yl]benzoic acid
CID 101370249
N-[6-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2,2-dimethylpropanamide;lead(2+);dinitrate
CID 139140239
2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 140747992
2-[2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylethanamine
CID 115464256
N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
CID 78942264
2-[[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 15845106
N'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 18441336
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-N-methylaniline?
The IUPAC name of 2-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-N-methylaniline (CID 71033806) is 2-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-N-methylaniline.
What is the SMILES notation for 2-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-N-methylaniline?
The canonical SMILES for 2-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-N-methylaniline is CCSCCN(Cc1ccccn1)Cc1ccccc1NC.
What is the InChIKey of 2-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-N-methylaniline?
The InChIKey is LIDSHDKDZBATML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3S/c1-3-22-13-12-21(15-17-9-6-7-11-20-17)14-16-8-4-5-10-18(16)19-2/h4-11,19H,3,12-15H2,1-2H3.
What are the key properties of 2-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-N-methylaniline?
2-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-N-methylaniline has a molecular weight of 315.49 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-N-methylaniline is sourced from PubChem (CID 71033806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).