N-[(2-chloro-6-ethylsulfanylphenyl)methyl]-2-methoxyethanamine

C12H18ClNOS — CID 63806578

IUPACN-[(2-chloro-6-ethylsulfanylphenyl)methyl]-2-methoxyethanamine
SMILESCCSc1cccc(Cl)c1CNCCOC
InChIInChI=1S/C12H18ClNOS/c1-3-16-12-6-4-5-11(13)10(12)9-14-7-8-15-2/h4-6,14H,3,7-9H2,1-2H3
InChIKeyYWAFXKJSWNPDQR-UHFFFAOYSA-N
MW259.80 g/mol
LogP3.19
Rot. Bonds7

About N-[(2-chloro-6-ethylsulfanylphenyl)methyl]-2-methoxyethanamine

N-[(2-chloro-6-ethylsulfanylphenyl)methyl]-2-methoxyethanamine (PubChem CID 63806578) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is N-[(2-chloro-6-ethylsulfanylphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-ethylsulfanylphenyl)methyl]-2-methoxyethanamine
PubChem CID63806578
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC NameN-[(2-chloro-6-ethylsulfanylphenyl)methyl]-2-methoxyethanamine
SMILESCCSc1cccc(Cl)c1CNCCOC
InChIInChI=1S/C12H18ClNOS/c1-3-16-12-6-4-5-11(13)10(12)9-14-7-8-15-2/h4-6,14H,3,7-9H2,1-2H3
InChIKeyYWAFXKJSWNPDQR-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-6-pyrimidin-2-ylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63804632
N-[(2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63806580
N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine
CID 114320190
3-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutyl)aniline
CID 63060562
N-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 63806182
N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320091
N-[(4-chloro-2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 114863829
N-butan-2-yl-3-chloro-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058596
2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol
CID 63808921
methyl 2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylacetate
CID 63807317
1-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol
CID 114320203
3-chloro-2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63551760

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-ethylsulfanylphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2-chloro-6-ethylsulfanylphenyl)methyl]-2-methoxyethanamine (CID 63806578) is N-[(2-chloro-6-ethylsulfanylphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2-chloro-6-ethylsulfanylphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2-chloro-6-ethylsulfanylphenyl)methyl]-2-methoxyethanamine is CCSc1cccc(Cl)c1CNCCOC.
What is the InChIKey of N-[(2-chloro-6-ethylsulfanylphenyl)methyl]-2-methoxyethanamine?
The InChIKey is YWAFXKJSWNPDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c1-3-16-12-6-4-5-11(13)10(12)9-14-7-8-15-2/h4-6,14H,3,7-9H2,1-2H3.
What are the key properties of N-[(2-chloro-6-ethylsulfanylphenyl)methyl]-2-methoxyethanamine?
N-[(2-chloro-6-ethylsulfanylphenyl)methyl]-2-methoxyethanamine has a molecular weight of 259.80 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-ethylsulfanylphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 63806578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).