5-(4-methylsulfanylphenoxy)pentan-1-amine

C12H19NOS — CID 63649657

IUPAC5-(4-methylsulfanylphenoxy)pentan-1-amine
SMILESCSc1ccc(OCCCCCN)cc1
InChIInChI=1S/C12H19NOS/c1-15-12-7-5-11(6-8-12)14-10-4-2-3-9-13/h5-8H,2-4,9-10,13H2,1H3
InChIKeyQOLOJZNAUKVDKD-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.92
Rot. Bonds7

About 5-(4-methylsulfanylphenoxy)pentan-1-amine

5-(4-methylsulfanylphenoxy)pentan-1-amine (PubChem CID 63649657) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 5-(4-methylsulfanylphenoxy)pentan-1-amine.

Molecular Properties

Compound Name5-(4-methylsulfanylphenoxy)pentan-1-amine
PubChem CID63649657
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name5-(4-methylsulfanylphenoxy)pentan-1-amine
SMILESCSc1ccc(OCCCCCN)cc1
InChIInChI=1S/C12H19NOS/c1-15-12-7-5-11(6-8-12)14-10-4-2-3-9-13/h5-8H,2-4,9-10,13H2,1H3
InChIKeyQOLOJZNAUKVDKD-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene
CID 70368066
1-(6-bromohexoxy)-4-methylsulfanylbenzene
CID 18921861
6-(4-methylsulfanylphenoxy)hexan-1-ol
CID 103867882
8-(4-methoxyphenoxy)octan-1-amine
CID 90318886
4-[2-(4-methylsulfanylphenoxy)ethoxy]aniline
CID 63648995
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
3-(4-hexoxyphenoxy)propan-1-amine
CID 90318959
3-(4-ethylsulfanylphenoxy)propan-1-amine
CID 98783329
S-[4-[6-(4-aminosulfanylphenoxy)hexoxy]phenyl]thiohydroxylamine
CID 145154833
[3-[3-(4-methylsulfanylphenoxy)propoxy]phenyl]methanamine
CID 63649819
1-methylsulfanyl-4-[4-(4-propan-2-yloxybutoxy)butoxy]benzene
CID 21434055
1-(2-ethoxyethoxy)-4-methylsulfanylbenzene
CID 57317041

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfanylphenoxy)pentan-1-amine?
The IUPAC name of 5-(4-methylsulfanylphenoxy)pentan-1-amine (CID 63649657) is 5-(4-methylsulfanylphenoxy)pentan-1-amine.
What is the SMILES notation for 5-(4-methylsulfanylphenoxy)pentan-1-amine?
The canonical SMILES for 5-(4-methylsulfanylphenoxy)pentan-1-amine is CSc1ccc(OCCCCCN)cc1.
What is the InChIKey of 5-(4-methylsulfanylphenoxy)pentan-1-amine?
The InChIKey is QOLOJZNAUKVDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-15-12-7-5-11(6-8-12)14-10-4-2-3-9-13/h5-8H,2-4,9-10,13H2,1H3.
What are the key properties of 5-(4-methylsulfanylphenoxy)pentan-1-amine?
5-(4-methylsulfanylphenoxy)pentan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfanylphenoxy)pentan-1-amine is sourced from PubChem (CID 63649657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).