1-methoxy-N-methyl-1-(4-methylsulfanylphenyl)methanamine

C10H15NOS — CID 116961519

IUPAC1-methoxy-N-methyl-1-(4-methylsulfanylphenyl)methanamine
SMILESCNC(OC)c1ccc(SC)cc1
InChIInChI=1S/C10H15NOS/c1-11-10(12-2)8-4-6-9(13-3)7-5-8/h4-7,10-11H,1-3H3
InChIKeyUZWHGSOJCXSYIW-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.27
Rot. Bonds4

About 1-methoxy-N-methyl-1-(4-methylsulfanylphenyl)methanamine

1-methoxy-N-methyl-1-(4-methylsulfanylphenyl)methanamine (PubChem CID 116961519) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-methoxy-N-methyl-1-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name1-methoxy-N-methyl-1-(4-methylsulfanylphenyl)methanamine
PubChem CID116961519
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name1-methoxy-N-methyl-1-(4-methylsulfanylphenyl)methanamine
SMILESCNC(OC)c1ccc(SC)cc1
InChIInChI=1S/C10H15NOS/c1-11-10(12-2)8-4-6-9(13-3)7-5-8/h4-7,10-11H,1-3H3
InChIKeyUZWHGSOJCXSYIW-UHFFFAOYSA-N
XLogP2.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
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-fluorophenyl)-1-methoxy-N-methylmethanamine
CID 116961436
1-[bis(4-methylsulfanylphenyl)methyl]-4-methylsulfanylbenzene
CID 15747198
1-(2,6-dimethoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 105052091
4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline
CID 116952045
1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 79215702
2-methyl-1-(methylamino)-1-(4-methylsulfanylphenyl)propan-2-ol
CID 116957246
1-(2-chloro-4-methoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 79215110
N-methyl-1-(4-methylsulfanylphenyl)but-3-en-1-amine
CID 115815034
1-methoxy-4-[[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methoxy]-(4-methylsulfanylphenyl)methyl]benzene
CID 71570344
(1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine
CID 55270386
hydrazinyl-(4-methylsulfanylphenyl)methanamine
CID 116947480
N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine
CID 79212501

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of 1-methoxy-N-methyl-1-(4-methylsulfanylphenyl)methanamine (CID 116961519) is 1-methoxy-N-methyl-1-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for 1-methoxy-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for 1-methoxy-N-methyl-1-(4-methylsulfanylphenyl)methanamine is CNC(OC)c1ccc(SC)cc1.
What is the InChIKey of 1-methoxy-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
The InChIKey is UZWHGSOJCXSYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-11-10(12-2)8-4-6-9(13-3)7-5-8/h4-7,10-11H,1-3H3.
What are the key properties of 1-methoxy-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
1-methoxy-N-methyl-1-(4-methylsulfanylphenyl)methanamine has a molecular weight of 197.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-1-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 116961519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).