1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine

C15H16FNS — CID 66356452

IUPAC1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(SCc2ccc(F)cc2)c1
InChIInChI=1S/C15H16FNS/c1-17-10-13-3-2-4-15(9-13)18-11-12-5-7-14(16)8-6-12/h2-9,17H,10-11H2,1H3
InChIKeyJWJRJOPYGCKXAV-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.84
Rot. Bonds5

About 1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine

1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine (PubChem CID 66356452) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine
PubChem CID66356452
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(SCc2ccc(F)cc2)c1
InChIInChI=1S/C15H16FNS/c1-17-10-13-3-2-4-15(9-13)18-11-12-5-7-14(16)8-6-12/h2-9,17H,10-11H2,1H3
InChIKeyJWJRJOPYGCKXAV-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(4-fluorophenyl)methylsulfanyl]phenyl]methyl]-2-methylpropan-1-amine
CID 66346761
1-[3-[(5-fluoro-3-pyridinyl)methylsulfanyl]phenyl]-N-methylmethanamine
CID 114084753
N-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine
CID 66346653
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
1-[3-[(2-methoxyphenyl)methylsulfanyl]phenyl]-N-methylmethanamine
CID 66347822
N-methyl-1-[3-(quinolin-6-ylmethylsulfanyl)phenyl]methanamine
CID 66353702
2-[3-(methylaminomethyl)phenyl]sulfanylethanol
CID 66348986
N-methyl-1-[3-[2-(trifluoromethoxy)ethylsulfanyl]phenyl]methanamine
CID 66348029
1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene
CID 91656520
N-methyl-1-[3-(3-methylbutylsulfanyl)phenyl]methanamine
CID 66347042
1-(3-but-2-enylsulfanylphenyl)-N-methylmethanamine
CID 77126312
N-[[3-[(2-bromo-4-fluorophenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 66347846

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine (CID 66356452) is 1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine is CNCc1cccc(SCc2ccc(F)cc2)c1.
What is the InChIKey of 1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine?
The InChIKey is JWJRJOPYGCKXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c1-17-10-13-3-2-4-15(9-13)18-11-12-5-7-14(16)8-6-12/h2-9,17H,10-11H2,1H3.
What are the key properties of 1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine?
1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine has a molecular weight of 261.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 66356452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).