2-methoxy-2-methyl-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine

C13H21NOS — CID 115656215

IUPAC2-methoxy-2-methyl-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine
SMILESCOC(C)(C)CNCc1ccc(SC)cc1
InChIInChI=1S/C13H21NOS/c1-13(2,15-3)10-14-9-11-5-7-12(16-4)8-6-11/h5-8,14H,9-10H2,1-4H3
InChIKeyXWLSBSYCKZIKEZ-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.92
Rot. Bonds6

About 2-methoxy-2-methyl-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine

2-methoxy-2-methyl-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine (PubChem CID 115656215) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine
PubChem CID115656215
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-methoxy-2-methyl-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine
SMILESCOC(C)(C)CNCc1ccc(SC)cc1
InChIInChI=1S/C13H21NOS/c1-13(2,15-3)10-14-9-11-5-7-12(16-4)8-6-11/h5-8,14H,9-10H2,1-4H3
InChIKeyXWLSBSYCKZIKEZ-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(4-methylsulfanylphenyl)methylamino]propane-1,2-diol
CID 66171306
N,N,2,2-tetramethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine
CID 28613557
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 738585
N-(2-methoxyethyl)-N'-[(4-methylsulfanylphenyl)methyl]ethane-1,2-diamine
CID 113405500
N-[(4-bromo-3-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115702697
N-[(4-methylsulfanylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60699641
N-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 106899543
2-ethyl-2-[[(4-methylsulfanylphenyl)methylamino]methyl]butanoic acid
CID 122129227
N-benzyl-2-(4-methylsulfanylphenyl)ethanamine
CID 102197359
methyl 2-fluoro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzoate
CID 106700478
methyl 1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclopropane-1-carboxylate
CID 115247572
N-tert-butyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide
CID 47124680

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine?
The IUPAC name of 2-methoxy-2-methyl-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine (CID 115656215) is 2-methoxy-2-methyl-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methoxy-2-methyl-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-methoxy-2-methyl-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine is COC(C)(C)CNCc1ccc(SC)cc1.
What is the InChIKey of 2-methoxy-2-methyl-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine?
The InChIKey is XWLSBSYCKZIKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-13(2,15-3)10-14-9-11-5-7-12(16-4)8-6-11/h5-8,14H,9-10H2,1-4H3.
What are the key properties of 2-methoxy-2-methyl-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine?
2-methoxy-2-methyl-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115656215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).