1-[2-(3-methoxypropylsulfanyl)phenyl]-N-methylmethanamine

C12H19NOS — CID 63855621

IUPAC1-[2-(3-methoxypropylsulfanyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1SCCCOC
InChIInChI=1S/C12H19NOS/c1-13-10-11-6-3-4-7-12(11)15-9-5-8-14-2/h3-4,6-7,13H,5,8-10H2,1-2H3
InChIKeyFKSQVAXDTMHJPX-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.53
Rot. Bonds7

About 1-[2-(3-methoxypropylsulfanyl)phenyl]-N-methylmethanamine

1-[2-(3-methoxypropylsulfanyl)phenyl]-N-methylmethanamine (PubChem CID 63855621) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-[2-(3-methoxypropylsulfanyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-methoxypropylsulfanyl)phenyl]-N-methylmethanamine
PubChem CID63855621
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-[2-(3-methoxypropylsulfanyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1SCCCOC
InChIInChI=1S/C12H19NOS/c1-13-10-11-6-3-4-7-12(11)15-9-5-8-14-2/h3-4,6-7,13H,5,8-10H2,1-2H3
InChIKeyFKSQVAXDTMHJPX-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.53
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

3-[2-(methylaminomethyl)phenyl]sulfanylpropan-1-ol
CID 66126631
3-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropan-1-ol
CID 66126419
N-[[2-(2-methoxyethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63807475
N-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63805324
(1S)-1-[2-(3-methoxypropylsulfanyl)phenyl]ethanol
CID 63855634
1-[2-(3-methoxypropylsulfanyl)phenyl]ethanol
CID 63855457
N-[(2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63806580
3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine
CID 62436682
N-[(2-butylsulfanylphenyl)methyl]propan-2-amine
CID 63809951
1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine
CID 63818813
2-methoxy-N-[[2-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 63809190
methyl 2-[4-(2-methoxycarbonylphenyl)sulfanylbutylsulfanyl]benzoate
CID 139077715

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropylsulfanyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-methoxypropylsulfanyl)phenyl]-N-methylmethanamine (CID 63855621) is 1-[2-(3-methoxypropylsulfanyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-methoxypropylsulfanyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-methoxypropylsulfanyl)phenyl]-N-methylmethanamine is CNCc1ccccc1SCCCOC.
What is the InChIKey of 1-[2-(3-methoxypropylsulfanyl)phenyl]-N-methylmethanamine?
The InChIKey is FKSQVAXDTMHJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-13-10-11-6-3-4-7-12(11)15-9-5-8-14-2/h3-4,6-7,13H,5,8-10H2,1-2H3.
What are the key properties of 1-[2-(3-methoxypropylsulfanyl)phenyl]-N-methylmethanamine?
1-[2-(3-methoxypropylsulfanyl)phenyl]-N-methylmethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropylsulfanyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 63855621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).