N-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine

C12H19NS — CID 63805324

IUPACN-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine
SMILESCNCc1ccccc1SCC(C)C
InChIInChI=1S/C12H19NS/c1-10(2)9-14-12-7-5-4-6-11(12)8-13-3/h4-7,10,13H,8-9H2,1-3H3
InChIKeyONSOEVHPAVKZND-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.15
Rot. Bonds5

About N-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine

N-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine (PubChem CID 63805324) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine
PubChem CID63805324
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine
SMILESCNCc1ccccc1SCC(C)C
InChIInChI=1S/C12H19NS/c1-10(2)9-14-12-7-5-4-6-11(12)8-13-3/h4-7,10,13H,8-9H2,1-3H3
InChIKeyONSOEVHPAVKZND-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine (CID 63805324) is N-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine is CNCc1ccccc1SCC(C)C.
What is the InChIKey of N-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine?
The InChIKey is ONSOEVHPAVKZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-10(2)9-14-12-7-5-4-6-11(12)8-13-3/h4-7,10,13H,8-9H2,1-3H3.
What are the key properties of N-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine?
N-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine has a molecular weight of 209.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 63805324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).