2-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine

C11H16FNS — CID 105371930

IUPAC2-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine
SMILESCc1ccc(F)cc1CSC(C)CN
InChIInChI=1S/C11H16FNS/c1-8-3-4-11(12)5-10(8)7-14-9(2)6-13/h3-5,9H,6-7,13H2,1-2H3
InChIKeyXBOGUMVOVWGZCM-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.71
Rot. Bonds4

About 2-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine

2-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine (PubChem CID 105371930) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine
PubChem CID105371930
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name2-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine
SMILESCc1ccc(F)cc1CSC(C)CN
InChIInChI=1S/C11H16FNS/c1-8-3-4-11(12)5-10(8)7-14-9(2)6-13/h3-5,9H,6-7,13H2,1-2H3
InChIKeyXBOGUMVOVWGZCM-UHFFFAOYSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-fluoro-2-methylphenyl)methylsulfanyl]ethanamine
CID 105371908
2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine
CID 82505973
3-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine
CID 105371932
4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine
CID 105372310
3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 105374999
2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375163
1-[(5-fluoro-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 105371937
2-[(2,4,6-trimethylphenyl)methylsulfanyl]propan-1-amine
CID 66219102
1-chloro-2-(4-chlorobutan-2-ylsulfanylmethyl)-4-fluorobenzene
CID 102622034
1-(5-fluoro-2-methylphenyl)-3-propan-2-ylsulfanylpropan-2-one
CID 105373242
[5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 55173090
1-(5-fluoro-2-methylphenyl)-5-methylhexan-3-ol
CID 105374706

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine?
The IUPAC name of 2-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine (CID 105371930) is 2-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine.
What is the SMILES notation for 2-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine?
The canonical SMILES for 2-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine is Cc1ccc(F)cc1CSC(C)CN.
What is the InChIKey of 2-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine?
The InChIKey is XBOGUMVOVWGZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-8-3-4-11(12)5-10(8)7-14-9(2)6-13/h3-5,9H,6-7,13H2,1-2H3.
What are the key properties of 2-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine?
2-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.71, 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]propan-1-amine is sourced from PubChem (CID 105371930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).