(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine

C9H12FNS — CID 104889284

IUPAC(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
SMILESC[C@@H](N)CSc1cccc(F)c1
InChIInChI=1S/C9H12FNS/c1-7(11)6-12-9-4-2-3-8(10)5-9/h2-5,7H,6,11H2,1H3/t7-/m1/s1
InChIKeyCTQPLLBYPUOBLQ-SSDOTTSWSA-N
MW185.27 g/mol
LogP2.27
Rot. Bonds3

About (2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine

(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine (PubChem CID 104889284) has the molecular formula C9H12FNS and a molecular weight of 185.27 g/mol. Its IUPAC name is (2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
PubChem CID104889284
Molecular FormulaC9H12FNS
Molecular Weight185.27 g/mol
Exact Mass185.07
IUPAC Name(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
SMILESC[C@@H](N)CSc1cccc(F)c1
InChIInChI=1S/C9H12FNS/c1-7(11)6-12-9-4-2-3-8(10)5-9/h2-5,7H,6,11H2,1H3/t7-/m1/s1
InChIKeyCTQPLLBYPUOBLQ-SSDOTTSWSA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(3-methylphenyl)sulfanylpropan-2-amine
CID 145087254
(2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine
CID 95436389
[2-(3-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105236551
1-(3-fluorophenyl)sulfanyl-5-methoxypentan-2-amine
CID 114856036
2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 66072926
1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine
CID 66070856
4-(2-aminopropylsulfanyl)-2-fluoroaniline
CID 102689536
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine
CID 66072105
1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072488
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine
CID 79445793
1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
CID 79566382
1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine
CID 82932599

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine?
The IUPAC name of (2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine (CID 104889284) is (2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine.
What is the SMILES notation for (2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine?
The canonical SMILES for (2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine is C[C@@H](N)CSc1cccc(F)c1.
What is the InChIKey of (2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine?
The InChIKey is CTQPLLBYPUOBLQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12FNS/c1-7(11)6-12-9-4-2-3-8(10)5-9/h2-5,7H,6,11H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine?
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine has a molecular weight of 185.27 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 104889284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).