2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine

C11H16FNOS — CID 117331001

IUPAC2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine
SMILESCOc1ccc(C(C)CN)c(F)c1SC
InChIInChI=1S/C11H16FNOS/c1-7(6-13)8-4-5-9(14-2)11(15-3)10(8)12/h4-5,7H,6,13H2,1-3H3
InChIKeyYDEFXVFBHHOYNC-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.62
Rot. Bonds4

About 2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine

2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine (PubChem CID 117331001) has the molecular formula C11H16FNOS and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine
PubChem CID117331001
Molecular FormulaC11H16FNOS
Molecular Weight229.32 g/mol
Exact Mass229.09
IUPAC Name2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine
SMILESCOc1ccc(C(C)CN)c(F)c1SC
InChIInChI=1S/C11H16FNOS/c1-7(6-13)8-4-5-9(14-2)11(15-3)10(8)12/h4-5,7H,6,13H2,1-3H3
InChIKeyYDEFXVFBHHOYNC-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)butanal
CID 117357983
3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol
CID 117288592
3-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propanoic acid
CID 117401591
2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanol
CID 117334317
2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine
CID 84782781
2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)acetic acid
CID 117364578
2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84681021
2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117347645
2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine
CID 117290018
2-(2,6-difluoro-3,5-dimethoxyphenyl)propan-1-amine
CID 117333864
2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336
3-(1-aminopropan-2-yl)-4-methoxyaniline
CID 84657534

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine?
The IUPAC name of 2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine (CID 117331001) is 2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine?
The canonical SMILES for 2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine is COc1ccc(C(C)CN)c(F)c1SC.
What is the InChIKey of 2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine?
The InChIKey is YDEFXVFBHHOYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNOS/c1-7(6-13)8-4-5-9(14-2)11(15-3)10(8)12/h4-5,7H,6,13H2,1-3H3.
What are the key properties of 2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine?
2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine is sourced from PubChem (CID 117331001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).