1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine

C14H15FN2S — CID 66051531

IUPAC1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
SMILESNC(CSc1ccccc1F)Cc1ccccn1
InChIInChI=1S/C14H15FN2S/c15-13-6-1-2-7-14(13)18-10-11(16)9-12-5-3-4-8-17-12/h1-8,11H,9-10,16H2
InChIKeyHCHKQRXTILEQLO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.88
Rot. Bonds5

About 1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine

1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine (PubChem CID 66051531) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
PubChem CID66051531
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
SMILESNC(CSc1ccccc1F)Cc1ccccn1
InChIInChI=1S/C14H15FN2S/c15-13-6-1-2-7-14(13)18-10-11(16)9-12-5-3-4-8-17-12/h1-8,11H,9-10,16H2
InChIKeyHCHKQRXTILEQLO-UHFFFAOYSA-N
XLogP2.88
TPSA38.91 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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66099254
1-(2-fluorophenyl)sulfanyl-N-methyl-3-pyridin-2-ylpropan-2-amine
CID 66053856
1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine
CID 83175961
1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine
CID 66051534
2-amino-3-pyridin-2-ylpropan-1-ol;hydrochloride
CID 75525879
1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 66052300
1-(3-chloro-2-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 102857673
4-methyl-1-pyridin-2-ylpentan-2-amine
CID 43118867
2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 47005105
1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine
CID 43118828
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
1-[2-(2-fluorophenyl)sulfanylethyl]-4-(pyridin-2-ylmethyl)piperazine
CID 134055256

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine (CID 66051531) is 1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine is NC(CSc1ccccc1F)Cc1ccccn1.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine?
The InChIKey is HCHKQRXTILEQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c15-13-6-1-2-7-14(13)18-10-11(16)9-12-5-3-4-8-17-12/h1-8,11H,9-10,16H2.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine?
1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine has a molecular weight of 262.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 66051531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).