1-[3-[(5-fluoro-3-pyridinyl)methylsulfanyl]phenyl]-N-methylmethanamine

C14H15FN2S — CID 114084753

IUPAC1-[3-[(5-fluoro-3-pyridinyl)methylsulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(SCc2cncc(F)c2)c1
InChIInChI=1S/C14H15FN2S/c1-16-7-11-3-2-4-14(6-11)18-10-12-5-13(15)9-17-8-12/h2-6,8-9,16H,7,10H2,1H3
InChIKeyVRDCKVVTBUQVBK-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.23
Rot. Bonds5

About 1-[3-[(5-fluoro-3-pyridinyl)methylsulfanyl]phenyl]-N-methylmethanamine

1-[3-[(5-fluoro-3-pyridinyl)methylsulfanyl]phenyl]-N-methylmethanamine (PubChem CID 114084753) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[3-[(5-fluoro-3-pyridinyl)methylsulfanyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(5-fluoro-3-pyridinyl)methylsulfanyl]phenyl]-N-methylmethanamine
PubChem CID114084753
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name1-[3-[(5-fluoro-3-pyridinyl)methylsulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(SCc2cncc(F)c2)c1
InChIInChI=1S/C14H15FN2S/c1-16-7-11-3-2-4-14(6-11)18-10-12-5-13(15)9-17-8-12/h2-6,8-9,16H,7,10H2,1H3
InChIKeyVRDCKVVTBUQVBK-UHFFFAOYSA-N
XLogP3.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine
CID 66346653
1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine
CID 66356452
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
N-[[3-[(5-bromo-3-pyridinyl)methylsulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 104811507
1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene
CID 91656520
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
N-[[3-[(4-fluorophenyl)methylsulfanyl]phenyl]methyl]-2-methylpropan-1-amine
CID 66346761
1-[3-[(2-methoxyphenyl)methylsulfanyl]phenyl]-N-methylmethanamine
CID 66347822
N-methyl-1-[3-(3-methylbutylsulfanyl)phenyl]methanamine
CID 66347042
1-(3-but-2-enylsulfanylphenyl)-N-methylmethanamine
CID 77126312

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-fluoro-3-pyridinyl)methylsulfanyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(5-fluoro-3-pyridinyl)methylsulfanyl]phenyl]-N-methylmethanamine (CID 114084753) is 1-[3-[(5-fluoro-3-pyridinyl)methylsulfanyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(5-fluoro-3-pyridinyl)methylsulfanyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(5-fluoro-3-pyridinyl)methylsulfanyl]phenyl]-N-methylmethanamine is CNCc1cccc(SCc2cncc(F)c2)c1.
What is the InChIKey of 1-[3-[(5-fluoro-3-pyridinyl)methylsulfanyl]phenyl]-N-methylmethanamine?
The InChIKey is VRDCKVVTBUQVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-16-7-11-3-2-4-14(6-11)18-10-12-5-13(15)9-17-8-12/h2-6,8-9,16H,7,10H2,1H3.
What are the key properties of 1-[3-[(5-fluoro-3-pyridinyl)methylsulfanyl]phenyl]-N-methylmethanamine?
1-[3-[(5-fluoro-3-pyridinyl)methylsulfanyl]phenyl]-N-methylmethanamine has a molecular weight of 262.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-fluoro-3-pyridinyl)methylsulfanyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 114084753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).