2-[(5-fluoro-2-methylphenyl)methylsulfanyl]ethanamine

C10H14FNS — CID 105371908

IUPAC2-[(5-fluoro-2-methylphenyl)methylsulfanyl]ethanamine
SMILESCc1ccc(F)cc1CSCCN
InChIInChI=1S/C10H14FNS/c1-8-2-3-10(11)6-9(8)7-13-5-4-12/h2-3,6H,4-5,7,12H2,1H3
InChIKeyVHNVAPZGPVHFAV-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.33
Rot. Bonds4

About 2-[(5-fluoro-2-methylphenyl)methylsulfanyl]ethanamine

2-[(5-fluoro-2-methylphenyl)methylsulfanyl]ethanamine (PubChem CID 105371908) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylphenyl)methylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylphenyl)methylsulfanyl]ethanamine
PubChem CID105371908
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name2-[(5-fluoro-2-methylphenyl)methylsulfanyl]ethanamine
SMILESCc1ccc(F)cc1CSCCN
InChIInChI=1S/C10H14FNS/c1-8-2-3-10(11)6-9(8)7-13-5-4-12/h2-3,6H,4-5,7,12H2,1H3
InChIKeyVHNVAPZGPVHFAV-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine
CID 105371932
3-[(5-fluoro-2-methylphenyl)methylsulfanyl]propanoic acid
CID 105369880
1-[(5-fluoro-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 105371937
2-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine
CID 105371930
3-[(2,5-dimethylphenyl)methylsulfanyl]propan-1-amine
CID 66219052
2-(2-aminoethylsulfanylmethyl)-5-fluorobenzonitrile
CID 63289453
2-[(2,4-dimethylphenyl)methylsulfanyl]ethanamine
CID 82158205
2-[(2,5-difluorophenyl)methylsulfanyl]ethanol
CID 61035614
2-[(2-fluorophenyl)methylsulfanyl]ethanamine;hydrochloride
CID 21425273
3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 105374999
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]ethanamine
CID 43438727
3-[(2,4-difluorophenyl)methylsulfanyl]-2-methylpropan-1-amine
CID 66227194

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylphenyl)methylsulfanyl]ethanamine?
The IUPAC name of 2-[(5-fluoro-2-methylphenyl)methylsulfanyl]ethanamine (CID 105371908) is 2-[(5-fluoro-2-methylphenyl)methylsulfanyl]ethanamine.
What is the SMILES notation for 2-[(5-fluoro-2-methylphenyl)methylsulfanyl]ethanamine?
The canonical SMILES for 2-[(5-fluoro-2-methylphenyl)methylsulfanyl]ethanamine is Cc1ccc(F)cc1CSCCN.
What is the InChIKey of 2-[(5-fluoro-2-methylphenyl)methylsulfanyl]ethanamine?
The InChIKey is VHNVAPZGPVHFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/c1-8-2-3-10(11)6-9(8)7-13-5-4-12/h2-3,6H,4-5,7,12H2,1H3.
What are the key properties of 2-[(5-fluoro-2-methylphenyl)methylsulfanyl]ethanamine?
2-[(5-fluoro-2-methylphenyl)methylsulfanyl]ethanamine has a molecular weight of 199.29 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylphenyl)methylsulfanyl]ethanamine is sourced from PubChem (CID 105371908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).