N-methyl-1-(2-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C17H27NOS — CID 105053103

IUPACN-methyl-1-(2-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCNC(c1ccccc1SC)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H27NOS/c1-16(2)11-13(17(3,4)19-16)15(18-5)12-9-7-8-10-14(12)20-6/h7-10,13,15,18H,11H2,1-6H3
InChIKeyHWOHPJIWRQYTGE-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.26
Rot. Bonds4

About N-methyl-1-(2-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

N-methyl-1-(2-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 105053103) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-methyl-1-(2-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID105053103
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-methyl-1-(2-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCNC(c1ccccc1SC)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H27NOS/c1-16(2)11-13(17(3,4)19-16)15(18-5)12-9-7-8-10-14(12)20-6/h7-10,13,15,18H,11H2,1-6H3
InChIKeyHWOHPJIWRQYTGE-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053060
1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052789
1-(4-bromophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622787
[(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105208749
1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105066147
1-(3-chloro-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 103444028
1-(2,2-dimethylcyclopropyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 107004239
N-methyl-1-(6-methyl-3-pyridinyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105189233
N-[(2-bromo-3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 105053129
1-(3-ethyl-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623446
N-[(4-methylsulfanylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 105053011
1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053110

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 105053103) is N-methyl-1-(2-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is CNC(c1ccccc1SC)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-methyl-1-(2-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is HWOHPJIWRQYTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-16(2)11-13(17(3,4)19-16)15(18-5)12-9-7-8-10-14(12)20-6/h7-10,13,15,18H,11H2,1-6H3.
What are the key properties of N-methyl-1-(2-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
N-methyl-1-(2-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 293.48 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 105053103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).