N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine

C11H16FNS — CID 115757618

IUPACN-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNCc1cccc(F)c1
InChIInChI=1S/C11H16FNS/c1-9(14-2)7-13-8-10-4-3-5-11(12)6-10/h3-6,9,13H,7-8H2,1-2H3
InChIKeyANPYAKMYZCZXKX-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.67
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine

N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine (PubChem CID 115757618) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
PubChem CID115757618
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC NameN-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNCc1cccc(F)c1
InChIInChI=1S/C11H16FNS/c1-9(14-2)7-13-8-10-4-3-5-11(12)6-10/h3-6,9,13H,7-8H2,1-2H3
InChIKeyANPYAKMYZCZXKX-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252833
1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631776
2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol
CID 115252092
N-[(3,4-dibromophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757568
(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
CID 96500370
N-[(3-fluorophenyl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106723148
N-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757743
2-methylsulfanyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 115757686
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757713
N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 60977027
N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43085072

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine (CID 115757618) is N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine is CSC(C)CNCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine?
The InChIKey is ANPYAKMYZCZXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-9(14-2)7-13-8-10-4-3-5-11(12)6-10/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine?
N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 115757618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).