N,N-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-amine

C11H16F5NS — CID 170865966

IUPACN,N-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-amine
SMILESCN(C)CCCc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C11H16F5NS/c1-17(2)9-3-4-10-5-7-11(8-6-10)18(12,13,14,15)16/h5-8H,3-4,9H2,1-2H3
InChIKeyKCMRCXIKPQFMMC-UHFFFAOYSA-N
MW289.31 g/mol
LogP4.84
Rot. Bonds5

About N,N-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-amine

N,N-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-amine (PubChem CID 170865966) has the molecular formula C11H16F5NS and a molecular weight of 289.31 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-amine
PubChem CID170865966
Molecular FormulaC11H16F5NS
Molecular Weight289.31 g/mol
Exact Mass289.09
IUPAC NameN,N-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-amine
SMILESCN(C)CCCc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C11H16F5NS/c1-17(2)9-3-4-10-5-7-11(8-6-10)18(12,13,14,15)16/h5-8H,3-4,9H2,1-2H3
InChIKeyKCMRCXIKPQFMMC-UHFFFAOYSA-N
XLogP4.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557
3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 10757306
3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N,N-dimethylpropan-1-amine
CID 170865824
N,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine
CID 170865314
N,N-dimethyl-3-(4-trimethylsilyloxyphenyl)propan-1-amine
CID 170865655
N,N-dimethyl-5-(4-methylphenyl)pentan-1-amine;hydrate
CID 173447958
3-(4-cyclopentylsulfanylphenyl)-N,N-dimethylpropan-1-amine
CID 20573036
3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
CID 70586512
N,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine
CID 170866043
3-[4-(4-chloro-3-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170866005
3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine
CID 20573468
4-(4-ethynylphenyl)-N,N-dimethylbutan-1-amine
CID 139494263

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-amine (CID 170865966) is N,N-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-amine is CN(C)CCCc1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of N,N-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-amine?
The InChIKey is KCMRCXIKPQFMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F5NS/c1-17(2)9-3-4-10-5-7-11(8-6-10)18(12,13,14,15)16/h5-8H,3-4,9H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-amine?
N,N-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-amine has a molecular weight of 289.31 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-amine is sourced from PubChem (CID 170865966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).