1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine

C14H14FNS — CID 63807135

IUPAC1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Sc1ccccc1
InChIInChI=1S/C14H14FNS/c1-16-10-11-9-12(15)7-8-14(11)17-13-5-3-2-4-6-13/h2-9,16H,10H2,1H3
InChIKeyOYMFUWBBXGBLBU-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.70
Rot. Bonds4

About 1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine

1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine (PubChem CID 63807135) has the molecular formula C14H14FNS and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine
PubChem CID63807135
Molecular FormulaC14H14FNS
Molecular Weight247.34 g/mol
Exact Mass247.08
IUPAC Name1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Sc1ccccc1
InChIInChI=1S/C14H14FNS/c1-16-10-11-9-12(15)7-8-14(11)17-13-5-3-2-4-6-13/h2-9,16H,10H2,1H3
InChIKeyOYMFUWBBXGBLBU-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine
CID 63808898
1-[2-(3,4-dimethylphenyl)sulfanyl-5-fluorophenyl]-N-methylmethanamine
CID 63804444
1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine
CID 55238932
1-[5-fluoro-2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 11266568
1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine
CID 63808629
1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 114863888
1-(4-bromo-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 63805212
1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 63806022
[3-amino-4-[4-fluoro-2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol
CID 24773642
5-fluoro-2-(methylaminomethyl)phenol
CID 82595579
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
N-[(2-benzylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 63806799

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine (CID 63807135) is 1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine is CNCc1cc(F)ccc1Sc1ccccc1.
What is the InChIKey of 1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine?
The InChIKey is OYMFUWBBXGBLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS/c1-16-10-11-9-12(15)7-8-14(11)17-13-5-3-2-4-6-13/h2-9,16H,10H2,1H3.
What are the key properties of 1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine?
1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine has a molecular weight of 247.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine is sourced from PubChem (CID 63807135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).