[2-[3-(3-methylbutan-2-ylsulfanyl)propoxy]phenyl]methanamine

C15H25NOS — CID 107752271

IUPAC[2-[3-(3-methylbutan-2-ylsulfanyl)propoxy]phenyl]methanamine
SMILESCC(C)C(C)SCCCOc1ccccc1CN
InChIInChI=1S/C15H25NOS/c1-12(2)13(3)18-10-6-9-17-15-8-5-4-7-14(15)11-16/h4-5,7-8,12-13H,6,9-11,16H2,1-3H3
InChIKeyYLBUGCLDIFFEBR-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.69
Rot. Bonds8

About [2-[3-(3-methylbutan-2-ylsulfanyl)propoxy]phenyl]methanamine

[2-[3-(3-methylbutan-2-ylsulfanyl)propoxy]phenyl]methanamine (PubChem CID 107752271) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is [2-[3-(3-methylbutan-2-ylsulfanyl)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[3-(3-methylbutan-2-ylsulfanyl)propoxy]phenyl]methanamine
PubChem CID107752271
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name[2-[3-(3-methylbutan-2-ylsulfanyl)propoxy]phenyl]methanamine
SMILESCC(C)C(C)SCCCOc1ccccc1CN
InChIInChI=1S/C15H25NOS/c1-12(2)13(3)18-10-6-9-17-15-8-5-4-7-14(15)11-16/h4-5,7-8,12-13H,6,9-11,16H2,1-3H3
InChIKeyYLBUGCLDIFFEBR-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.69
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

[2-(3-ethylsulfanylpropoxy)phenyl]methanamine
CID 43530019
[2-[3-(2-methoxyethylsulfanyl)propoxy]phenyl]methanamine
CID 43529834
[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
CID 60903164
[2-[3-(3-methylphenyl)sulfanylpropoxy]phenyl]methanamine
CID 61243254
N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 43588461
[2-[2-(4-methylpentan-2-yloxy)ethoxy]phenyl]methanamine
CID 43254260
[2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propoxy]phenyl]methanamine
CID 60877518
[2-[3-(1-methylpyrazol-4-yl)sulfanylpropoxy]phenyl]methanamine
CID 61385307
2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride
CID 67183570
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731
(2-pent-3-ynoxyphenyl)methanamine
CID 104804318
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788

Frequently Asked Questions

What is the IUPAC name of [2-[3-(3-methylbutan-2-ylsulfanyl)propoxy]phenyl]methanamine?
The IUPAC name of [2-[3-(3-methylbutan-2-ylsulfanyl)propoxy]phenyl]methanamine (CID 107752271) is [2-[3-(3-methylbutan-2-ylsulfanyl)propoxy]phenyl]methanamine.
What is the SMILES notation for [2-[3-(3-methylbutan-2-ylsulfanyl)propoxy]phenyl]methanamine?
The canonical SMILES for [2-[3-(3-methylbutan-2-ylsulfanyl)propoxy]phenyl]methanamine is CC(C)C(C)SCCCOc1ccccc1CN.
What is the InChIKey of [2-[3-(3-methylbutan-2-ylsulfanyl)propoxy]phenyl]methanamine?
The InChIKey is YLBUGCLDIFFEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-12(2)13(3)18-10-6-9-17-15-8-5-4-7-14(15)11-16/h4-5,7-8,12-13H,6,9-11,16H2,1-3H3.
What are the key properties of [2-[3-(3-methylbutan-2-ylsulfanyl)propoxy]phenyl]methanamine?
[2-[3-(3-methylbutan-2-ylsulfanyl)propoxy]phenyl]methanamine has a molecular weight of 267.44 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3-methylbutan-2-ylsulfanyl)propoxy]phenyl]methanamine is sourced from PubChem (CID 107752271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).