N-[(4-methoxyphenyl)methyl]-2-methylsulfanylethanamine

C11H17NOS — CID 60658332

IUPACN-[(4-methoxyphenyl)methyl]-2-methylsulfanylethanamine
SMILESCOc1ccc(CNCCSC)cc1
InChIInChI=1S/C11H17NOS/c1-13-11-5-3-10(4-6-11)9-12-7-8-14-2/h3-6,12H,7-9H2,1-2H3
InChIKeyHQPHQIVMTURORU-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.15
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-methylsulfanylethanamine

N-[(4-methoxyphenyl)methyl]-2-methylsulfanylethanamine (PubChem CID 60658332) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-methylsulfanylethanamine
PubChem CID60658332
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-methylsulfanylethanamine
SMILESCOc1ccc(CNCCSC)cc1
InChIInChI=1S/C11H17NOS/c1-13-11-5-3-10(4-6-11)9-12-7-8-14-2/h3-6,12H,7-9H2,1-2H3
InChIKeyHQPHQIVMTURORU-UHFFFAOYSA-N
XLogP2.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.15
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'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
2-[(4-methoxyphenyl)methylamino]ethanethiol
CID 14306201
2-methylsulfanyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 60658282
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
2-[(4-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17292349
2-butoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 55137655
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylsulfanylethanamine
CID 65324178
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54807228
N-(bromomethyl)-1-(4-methoxyphenyl)methanamine
CID 115261836
N-[(3,4-dimethylphenyl)methyl]-2-methylsulfanylethanamine
CID 60658373

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methylsulfanylethanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methylsulfanylethanamine (CID 60658332) is N-[(4-methoxyphenyl)methyl]-2-methylsulfanylethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-methylsulfanylethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-methylsulfanylethanamine is COc1ccc(CNCCSC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-methylsulfanylethanamine?
The InChIKey is HQPHQIVMTURORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-13-11-5-3-10(4-6-11)9-12-7-8-14-2/h3-6,12H,7-9H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-methylsulfanylethanamine?
N-[(4-methoxyphenyl)methyl]-2-methylsulfanylethanamine has a molecular weight of 211.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-methylsulfanylethanamine is sourced from PubChem (CID 60658332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).