3-(4-cyclopentylsulfanylphenyl)-1-fluoropentan-2-amine

C16H24FNS — CID 134316554

IUPAC3-(4-cyclopentylsulfanylphenyl)-1-fluoropentan-2-amine
SMILESCCC(c1ccc(SC2CCCC2)cc1)C(N)CF
InChIInChI=1S/C16H24FNS/c1-2-15(16(18)11-17)12-7-9-14(10-8-12)19-13-5-3-4-6-13/h7-10,13,15-16H,2-6,11,18H2,1H3
InChIKeyRBLHFEHMNZLZLD-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.51
Rot. Bonds6

About 3-(4-cyclopentylsulfanylphenyl)-1-fluoropentan-2-amine

3-(4-cyclopentylsulfanylphenyl)-1-fluoropentan-2-amine (PubChem CID 134316554) has the molecular formula C16H24FNS and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-(4-cyclopentylsulfanylphenyl)-1-fluoropentan-2-amine.

Molecular Properties

Compound Name3-(4-cyclopentylsulfanylphenyl)-1-fluoropentan-2-amine
PubChem CID134316554
Molecular FormulaC16H24FNS
Molecular Weight281.44 g/mol
Exact Mass281.16
IUPAC Name3-(4-cyclopentylsulfanylphenyl)-1-fluoropentan-2-amine
SMILESCCC(c1ccc(SC2CCCC2)cc1)C(N)CF
InChIInChI=1S/C16H24FNS/c1-2-15(16(18)11-17)12-7-9-14(10-8-12)19-13-5-3-4-6-13/h7-10,13,15-16H,2-6,11,18H2,1H3
InChIKeyRBLHFEHMNZLZLD-UHFFFAOYSA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclohexylsulfanylphenyl)-N-methylpropan-1-amine
CID 114066596
2-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-ol
CID 82499370
4-(2-amino-1-fluoropentan-3-yl)-N-methylaniline
CID 134316618
N-butan-2-yl-4-cyclopentylsulfanylaniline
CID 43726330
1-(4-cyclopentylsulfanylphenyl)propan-1-one
CID 82496466
1-(4-cyclopentylsulfanylphenyl)-3-(dimethylamino)propan-1-ol
CID 20573458
methyl 2-(4-cyclopentylsulfanylanilino)butanoate
CID 115352806
2-bromo-1-(4-cyclopentylsulfanylphenyl)ethanone
CID 82490225
3-(4-cyclohexylsulfanylphenyl)-N,N-diethyl-2-methyl-3-phenylprop-2-en-1-amine
CID 54280372
1-bromo-4-cyclopentylsulfanylbenzene
CID 15728319
1-(4-cyclohexylsulfanylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
CID 20573848
3-(4-cyclohexylsulfanylphenyl)-1-(dimethylamino)butan-2-ol
CID 20573536

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentylsulfanylphenyl)-1-fluoropentan-2-amine?
The IUPAC name of 3-(4-cyclopentylsulfanylphenyl)-1-fluoropentan-2-amine (CID 134316554) is 3-(4-cyclopentylsulfanylphenyl)-1-fluoropentan-2-amine.
What is the SMILES notation for 3-(4-cyclopentylsulfanylphenyl)-1-fluoropentan-2-amine?
The canonical SMILES for 3-(4-cyclopentylsulfanylphenyl)-1-fluoropentan-2-amine is CCC(c1ccc(SC2CCCC2)cc1)C(N)CF.
What is the InChIKey of 3-(4-cyclopentylsulfanylphenyl)-1-fluoropentan-2-amine?
The InChIKey is RBLHFEHMNZLZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNS/c1-2-15(16(18)11-17)12-7-9-14(10-8-12)19-13-5-3-4-6-13/h7-10,13,15-16H,2-6,11,18H2,1H3.
What are the key properties of 3-(4-cyclopentylsulfanylphenyl)-1-fluoropentan-2-amine?
3-(4-cyclopentylsulfanylphenyl)-1-fluoropentan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentylsulfanylphenyl)-1-fluoropentan-2-amine is sourced from PubChem (CID 134316554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).