N-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine

C15H25NOS — CID 63804492

IUPACN-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(SC(C)(C)C)cc1C
InChIInChI=1S/C15H25NOS/c1-12-10-14(18-15(2,3)4)7-6-13(12)11-16-8-9-17-5/h6-7,10,16H,8-9,11H2,1-5H3
InChIKeyPMKLOUNDOLDVOJ-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.62
Rot. Bonds6

About N-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine

N-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine (PubChem CID 63804492) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine
PubChem CID63804492
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(SC(C)(C)C)cc1C
InChIInChI=1S/C15H25NOS/c1-12-10-14(18-15(2,3)4)7-6-13(12)11-16-8-9-17-5/h6-7,10,16H,8-9,11H2,1-5H3
InChIKeyPMKLOUNDOLDVOJ-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.62
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-tert-butylsulfanyl-2-methylphenyl)methyl]propan-1-amine
CID 63805372
N-[(4-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine
CID 63808367
2-methoxy-N-[[2-methyl-4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]ethanamine
CID 63806393
N-[(4-butan-2-ylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine
CID 63806928
2-methoxy-N-[[2-methyl-4-(oxan-4-ylsulfanyl)phenyl]methyl]ethanamine
CID 63813776
2-methoxy-N-[[2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 63806169
2-methoxy-N-[[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]ethanamine
CID 63812718
N-[2-(3,4-dimethylphenyl)sulfanylethyl]-2-methoxyethanamine
CID 60719628
N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine
CID 107513371
2-methoxy-N-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 63058721
N-butyl-4-[(2-methoxyethylamino)methyl]-N,3-dimethylaniline
CID 63060156
N-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methylpropan-1-amine
CID 114064938

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine (CID 63804492) is N-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine is COCCNCc1ccc(SC(C)(C)C)cc1C.
What is the InChIKey of N-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine?
The InChIKey is PMKLOUNDOLDVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-12-10-14(18-15(2,3)4)7-6-13(12)11-16-8-9-17-5/h6-7,10,16H,8-9,11H2,1-5H3.
What are the key properties of N-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine?
N-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine has a molecular weight of 267.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 63804492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).