1-[2-(4-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride

C15H17ClFNS — CID 3071789

IUPAC1-[2-(4-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)Cc1ccccc1Sc1ccc(F)cc1.Cl
InChIInChI=1S/C15H16FNS.ClH/c1-17(2)11-12-5-3-4-6-15(12)18-14-9-7-13(16)8-10-14;/h3-10H,11H2,1-2H3;1H
InChIKeyAVXAHMMYHLTLTG-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.46
Rot. Bonds4

About 1-[2-(4-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride

1-[2-(4-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride (PubChem CID 3071789) has the molecular formula C15H17ClFNS and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
PubChem CID3071789
Molecular FormulaC15H17ClFNS
Molecular Weight297.83 g/mol
Exact Mass297.08
IUPAC Name1-[2-(4-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)Cc1ccccc1Sc1ccc(F)cc1.Cl
InChIInChI=1S/C15H16FNS.ClH/c1-17(2)11-12-5-3-4-6-15(12)18-14-9-7-13(16)8-10-14;/h3-10H,11H2,1-2H3;1H
InChIKeyAVXAHMMYHLTLTG-UHFFFAOYSA-N
XLogP4.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 1-[2-(4-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride (CID 3071789) is 1-[2-(4-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 1-[2-(4-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 1-[2-(4-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride is CN(C)Cc1ccccc1Sc1ccc(F)cc1.Cl.
What is the InChIKey of 1-[2-(4-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The InChIKey is AVXAHMMYHLTLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS.ClH/c1-17(2)11-12-5-3-4-6-15(12)18-14-9-7-13(16)8-10-14;/h3-10H,11H2,1-2H3;1H.
What are the key properties of 1-[2-(4-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
1-[2-(4-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 3071789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).