1-(4-ethylsulfanylphenyl)-N-(methoxymethyl)-N-methylmethanamine

C12H19NOS — CID 115258729

IUPAC1-(4-ethylsulfanylphenyl)-N-(methoxymethyl)-N-methylmethanamine
SMILESCCSc1ccc(CN(C)COC)cc1
InChIInChI=1S/C12H19NOS/c1-4-15-12-7-5-11(6-8-12)9-13(2)10-14-3/h5-8H,4,9-10H2,1-3H3
InChIKeyXYGTZCPHFLEDEQ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.83
Rot. Bonds6

About 1-(4-ethylsulfanylphenyl)-N-(methoxymethyl)-N-methylmethanamine

1-(4-ethylsulfanylphenyl)-N-(methoxymethyl)-N-methylmethanamine (PubChem CID 115258729) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-N-(methoxymethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-N-(methoxymethyl)-N-methylmethanamine
PubChem CID115258729
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(4-ethylsulfanylphenyl)-N-(methoxymethyl)-N-methylmethanamine
SMILESCCSc1ccc(CN(C)COC)cc1
InChIInChI=1S/C12H19NOS/c1-4-15-12-7-5-11(6-8-12)9-13(2)10-14-3/h5-8H,4,9-10H2,1-3H3
InChIKeyXYGTZCPHFLEDEQ-UHFFFAOYSA-N
XLogP2.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylsulfanylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260989
4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline
CID 115258403
2-[(4-ethylsulfanylphenyl)methyl-methylamino]acetaldehyde
CID 115223107
1-ethylsulfanyl-4-(2-methoxyethyl)benzene
CID 134320195
1-amino-3-[(4-ethylsulfanylphenyl)methyl-methylamino]propan-2-ol
CID 115121529
1-N-[(4-ethylsulfanylphenyl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203954
(4-ethylsulfanylphenyl)methanamine
CID 12842467
2-[2-(4-ethylsulfanylphenyl)ethyl-methylamino]acetic acid
CID 115005512
N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765
N-(methoxymethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 115258645
1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene
CID 166847942

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-N-(methoxymethyl)-N-methylmethanamine?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-N-(methoxymethyl)-N-methylmethanamine (CID 115258729) is 1-(4-ethylsulfanylphenyl)-N-(methoxymethyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-N-(methoxymethyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-N-(methoxymethyl)-N-methylmethanamine is CCSc1ccc(CN(C)COC)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-N-(methoxymethyl)-N-methylmethanamine?
The InChIKey is XYGTZCPHFLEDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-4-15-12-7-5-11(6-8-12)9-13(2)10-14-3/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-N-(methoxymethyl)-N-methylmethanamine?
1-(4-ethylsulfanylphenyl)-N-(methoxymethyl)-N-methylmethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-N-(methoxymethyl)-N-methylmethanamine is sourced from PubChem (CID 115258729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).