2-ethoxy-N-[[2-(methylideneamino)phenyl]sulfanylmethyl]ethanamine

C12H18N2OS — CID 145376091

IUPAC2-ethoxy-N-[[2-(methylideneamino)phenyl]sulfanylmethyl]ethanamine
SMILESC=Nc1ccccc1SCNCCOCC
InChIInChI=1S/C12H18N2OS/c1-3-15-9-8-14-10-16-12-7-5-4-6-11(12)13-2/h4-7,14H,2-3,8-10H2,1H3
InChIKeyJJSOUAYWCYDPTG-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.69
Rot. Bonds8

About 2-ethoxy-N-[[2-(methylideneamino)phenyl]sulfanylmethyl]ethanamine

2-ethoxy-N-[[2-(methylideneamino)phenyl]sulfanylmethyl]ethanamine (PubChem CID 145376091) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-ethoxy-N-[[2-(methylideneamino)phenyl]sulfanylmethyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[[2-(methylideneamino)phenyl]sulfanylmethyl]ethanamine
PubChem CID145376091
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-ethoxy-N-[[2-(methylideneamino)phenyl]sulfanylmethyl]ethanamine
SMILESC=Nc1ccccc1SCNCCOCC
InChIInChI=1S/C12H18N2OS/c1-3-15-9-8-14-10-16-12-7-5-4-6-11(12)13-2/h4-7,14H,2-3,8-10H2,1H3
InChIKeyJJSOUAYWCYDPTG-UHFFFAOYSA-N
XLogP2.69
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyethoxy)-N-[[2-(methylideneamino)cyclohexa-1,3-dien-1-yl]sulfanylmethyl]ethanamine
CID 145365795
2-ethoxy-N-[2-(1-phenylethoxy)ethyl]ethanamine
CID 62566170
N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine
CID 10381752
1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 79574324
3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine
CID 55024091
4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine
CID 62564980
3-hydrazinyl-N-[2-[2-(methylideneamino)phenyl]sulfanylethyl]-2-oxohexanamide
CID 143418669
N-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine
CID 60956458
[(2R)-4-ethoxybutan-2-yl]benzene
CID 67208388
2-ethoxy-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43778393
N-[2-(2,4-difluorophenyl)sulfanylethyl]-2-ethoxyethanamine
CID 55092391
1-(2-ethoxyethyl)-2-methyl-3-(3-phenylbutyl)guanidine;hydroiodide
CID 111894278

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[2-(methylideneamino)phenyl]sulfanylmethyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[[2-(methylideneamino)phenyl]sulfanylmethyl]ethanamine (CID 145376091) is 2-ethoxy-N-[[2-(methylideneamino)phenyl]sulfanylmethyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[[2-(methylideneamino)phenyl]sulfanylmethyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[[2-(methylideneamino)phenyl]sulfanylmethyl]ethanamine is C=Nc1ccccc1SCNCCOCC.
What is the InChIKey of 2-ethoxy-N-[[2-(methylideneamino)phenyl]sulfanylmethyl]ethanamine?
The InChIKey is JJSOUAYWCYDPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-15-9-8-14-10-16-12-7-5-4-6-11(12)13-2/h4-7,14H,2-3,8-10H2,1H3.
What are the key properties of 2-ethoxy-N-[[2-(methylideneamino)phenyl]sulfanylmethyl]ethanamine?
2-ethoxy-N-[[2-(methylideneamino)phenyl]sulfanylmethyl]ethanamine has a molecular weight of 238.36 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[2-(methylideneamino)phenyl]sulfanylmethyl]ethanamine is sourced from PubChem (CID 145376091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).