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

C11H16FNS — CID 115757743

IUPACN-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNCc1ccccc1F
InChIInChI=1S/C11H16FNS/c1-9(14-2)7-13-8-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyKSYHNWHTHLZREM-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.67
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine (PubChem CID 115757743) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
PubChem CID115757743
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC NameN-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNCc1ccccc1F
InChIInChI=1S/C11H16FNS/c1-9(14-2)7-13-8-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyKSYHNWHTHLZREM-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

N-[(2-fluorophenyl)methyl]-3-methylsulfanylbutan-1-amine
CID 115604329
2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine
CID 60922653
1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421975
1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 61042939
1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631775
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757713
N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757618
2-methylsulfanyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 113320318
N-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757397
3-[(2-fluorophenyl)methylamino]propane-1,2-diol
CID 56986233
N-[1-(2-fluorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115760889
N-(1,3-benzodioxol-4-ylmethyl)-2-methylsulfanylpropan-1-amine
CID 115757681

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine (CID 115757743) is N-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine is CSC(C)CNCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine?
The InChIKey is KSYHNWHTHLZREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-9(14-2)7-13-8-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine?
N-[(2-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-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 115757743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).