1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine

C12H19NOS — CID 63818813

IUPAC1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine
SMILESCOCCSc1ccccc1CC(C)N
InChIInChI=1S/C12H19NOS/c1-10(13)9-11-5-3-4-6-12(11)15-8-7-14-2/h3-6,10H,7-9,13H2,1-2H3
InChIKeyRBUVMXOPNOQBGR-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.31
Rot. Bonds6

About 1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine

1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine (PubChem CID 63818813) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine
PubChem CID63818813
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine
SMILESCOCCSc1ccccc1CC(C)N
InChIInChI=1S/C12H19NOS/c1-10(13)9-11-5-3-4-6-12(11)15-8-7-14-2/h3-6,10H,7-9,13H2,1-2H3
InChIKeyRBUVMXOPNOQBGR-UHFFFAOYSA-N
XLogP2.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.31
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

(2R)-1-(2-benzylsulfanylphenyl)propan-2-amine
CID 124557626
1-[2-(4-methoxybutoxy)phenyl]propan-2-amine
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CID 63807475
1-[2-(1,2-dimethoxyethyl)phenyl]propan-2-amine
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1-(2-methoxyphenyl)propan-2-amine;hydrochloride
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1-[2-(3-methoxypropylsulfanyl)phenyl]-N-methylmethanamine
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1-[3-chloro-2-(2-phenylsulfanylethoxy)phenyl]propan-2-amine
CID 115958347
2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 63816723
1-[2-(1-methoxyethyl)phenyl]propan-2-amine
CID 117111257
1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine
CID 117302169
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1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine (CID 63818813) is 1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine is COCCSc1ccccc1CC(C)N.
What is the InChIKey of 1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine?
The InChIKey is RBUVMXOPNOQBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10(13)9-11-5-3-4-6-12(11)15-8-7-14-2/h3-6,10H,7-9,13H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine?
1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine is sourced from PubChem (CID 63818813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).