1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine

C12H17ClFNS — CID 65131589

IUPAC1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine
SMILESCC(C)SCC(N)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H17ClFNS/c1-8(2)16-7-9(15)6-10-11(13)4-3-5-12(10)14/h3-5,8-9H,6-7,15H2,1-2H3
InChIKeyLKVRZTNEQOAYSE-UHFFFAOYSA-N
MW261.79 g/mol
LogP3.49
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine

1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine (PubChem CID 65131589) has the molecular formula C12H17ClFNS and a molecular weight of 261.79 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine
PubChem CID65131589
Molecular FormulaC12H17ClFNS
Molecular Weight261.79 g/mol
Exact Mass261.08
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine
SMILESCC(C)SCC(N)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H17ClFNS/c1-8(2)16-7-9(15)6-10-11(13)4-3-5-12(10)14/h3-5,8-9H,6-7,15H2,1-2H3
InChIKeyLKVRZTNEQOAYSE-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.79
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932102
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131448
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 66158625
4-butoxy-1-(2-chloro-6-fluorophenyl)butan-2-amine
CID 55145226
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 61079503
[1-(2-chloro-6-fluorophenyl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213730
1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899971
1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932224

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine (CID 65131589) is 1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine is CC(C)SCC(N)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine?
The InChIKey is LKVRZTNEQOAYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNS/c1-8(2)16-7-9(15)6-10-11(13)4-3-5-12(10)14/h3-5,8-9H,6-7,15H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine?
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine has a molecular weight of 261.79 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine is sourced from PubChem (CID 65131589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).