N-methyl-N-(2-methylphenoxy)sulfanylmethanamine

C9H13NOS — CID 176993440

IUPACN-methyl-N-(2-methylphenoxy)sulfanylmethanamine
SMILESCc1ccccc1OSN(C)C
InChIInChI=1S/C9H13NOS/c1-8-6-4-5-7-9(8)11-12-10(2)3/h4-7H,1-3H3
InChIKeyWEYGZNLLTPIYRE-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.50
Rot. Bonds3

About N-methyl-N-(2-methylphenoxy)sulfanylmethanamine

N-methyl-N-(2-methylphenoxy)sulfanylmethanamine (PubChem CID 176993440) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is N-methyl-N-(2-methylphenoxy)sulfanylmethanamine.

Molecular Properties

Compound NameN-methyl-N-(2-methylphenoxy)sulfanylmethanamine
PubChem CID176993440
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC NameN-methyl-N-(2-methylphenoxy)sulfanylmethanamine
SMILESCc1ccccc1OSN(C)C
InChIInChI=1S/C9H13NOS/c1-8-6-4-5-7-9(8)11-12-10(2)3/h4-7H,1-3H3
InChIKeyWEYGZNLLTPIYRE-UHFFFAOYSA-N
XLogP2.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
N-methyl-N-quinolin-8-yloxysulfanylmethanamine
CID 142037871
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
N-methyl-N-(2-methylphenoxy)acetamide
CID 152851685
N,N-dimethylmethanamine;(2-methylphenoxy) benzenesulfonate
CID 87854358
1-[difluoro(iodo)methoxy]-2-methylbenzene
CID 15507518
tris(2-methylphenyl) phosphite dichloride
CID 23333528
tris(1-methoxy-2-methylbenzene);propane
CID 158759517
N,N,2-trimethyl-6-phenoxyaniline
CID 91549486
2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol
CID 110908229
2,3-dimethyl-3-(2-methylphenoxy)butan-2-ol
CID 175409233
1,2-xylene
CID 173422016

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylphenoxy)sulfanylmethanamine?
The IUPAC name of N-methyl-N-(2-methylphenoxy)sulfanylmethanamine (CID 176993440) is N-methyl-N-(2-methylphenoxy)sulfanylmethanamine.
What is the SMILES notation for N-methyl-N-(2-methylphenoxy)sulfanylmethanamine?
The canonical SMILES for N-methyl-N-(2-methylphenoxy)sulfanylmethanamine is Cc1ccccc1OSN(C)C.
What is the InChIKey of N-methyl-N-(2-methylphenoxy)sulfanylmethanamine?
The InChIKey is WEYGZNLLTPIYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-8-6-4-5-7-9(8)11-12-10(2)3/h4-7H,1-3H3.
What are the key properties of N-methyl-N-(2-methylphenoxy)sulfanylmethanamine?
N-methyl-N-(2-methylphenoxy)sulfanylmethanamine has a molecular weight of 183.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylphenoxy)sulfanylmethanamine is sourced from PubChem (CID 176993440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).