N-(2-methylsulfanylphenoxy)propan-1-amine

C10H15NOS — CID 19102994

IUPACN-(2-methylsulfanylphenoxy)propan-1-amine
SMILESCCCNOc1ccccc1SC
InChIInChI=1S/C10H15NOS/c1-3-8-11-12-9-6-4-5-7-10(9)13-2/h4-7,11H,3,8H2,1-2H3
InChIKeyNPJXJIPTCZBEJK-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.70
Rot. Bonds5

About N-(2-methylsulfanylphenoxy)propan-1-amine

N-(2-methylsulfanylphenoxy)propan-1-amine (PubChem CID 19102994) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is N-(2-methylsulfanylphenoxy)propan-1-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylphenoxy)propan-1-amine
PubChem CID19102994
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC NameN-(2-methylsulfanylphenoxy)propan-1-amine
SMILESCCCNOc1ccccc1SC
InChIInChI=1S/C10H15NOS/c1-3-8-11-12-9-6-4-5-7-10(9)13-2/h4-7,11H,3,8H2,1-2H3
InChIKeyNPJXJIPTCZBEJK-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(iodomethoxy)phenoxy]propan-1-amine
CID 163880018
1-(2-methylsulfanylphenoxy)-3-(propylamino)propan-2-ol
CID 63647463
N-[2-(2-methylsulfanylphenoxy)-2-phenylethyl]propan-1-amine
CID 63647905
(2-methylsulfanylphenyl) hypoiodite
CID 144554638
6-(2-methylsulfanylphenoxy)-N-propylpyridin-2-amine
CID 80880347
N-[[2-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 63647733
1-[2-(2-hexoxyethoxy)ethoxy]-2-methylsulfanylbenzene
CID 58828233
4-chloro-6-(2-methylsulfanylphenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80879645
N-[1-[5-(2-methylsulfanylphenoxy)-2-pyridinyl]ethyl]propan-1-amine
CID 83111227
2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine
CID 63649567
N-[[5-methyl-6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 80637131
3-(2-methylsulfanylphenoxy)propan-1-ol
CID 63648478

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenoxy)propan-1-amine?
The IUPAC name of N-(2-methylsulfanylphenoxy)propan-1-amine (CID 19102994) is N-(2-methylsulfanylphenoxy)propan-1-amine.
What is the SMILES notation for N-(2-methylsulfanylphenoxy)propan-1-amine?
The canonical SMILES for N-(2-methylsulfanylphenoxy)propan-1-amine is CCCNOc1ccccc1SC.
What is the InChIKey of N-(2-methylsulfanylphenoxy)propan-1-amine?
The InChIKey is NPJXJIPTCZBEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-3-8-11-12-9-6-4-5-7-10(9)13-2/h4-7,11H,3,8H2,1-2H3.
What are the key properties of N-(2-methylsulfanylphenoxy)propan-1-amine?
N-(2-methylsulfanylphenoxy)propan-1-amine has a molecular weight of 197.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenoxy)propan-1-amine is sourced from PubChem (CID 19102994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).