N-ethyl-1-ethylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-amine

C14H22FNS — CID 114347936

IUPACN-ethyl-1-ethylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
SMILESCCNC(CSCC)Cc1ccc(F)cc1C
InChIInChI=1S/C14H22FNS/c1-4-16-14(10-17-5-2)9-12-6-7-13(15)8-11(12)3/h6-8,14,16H,4-5,9-10H2,1-3H3
InChIKeyZKAZAWCGFRPSFI-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.41
Rot. Bonds7

About N-ethyl-1-ethylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-amine

N-ethyl-1-ethylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-amine (PubChem CID 114347936) has the molecular formula C14H22FNS and a molecular weight of 255.40 g/mol. Its IUPAC name is N-ethyl-1-ethylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-ethylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
PubChem CID114347936
Molecular FormulaC14H22FNS
Molecular Weight255.40 g/mol
Exact Mass255.15
IUPAC NameN-ethyl-1-ethylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
SMILESCCNC(CSCC)Cc1ccc(F)cc1C
InChIInChI=1S/C14H22FNS/c1-4-16-14(10-17-5-2)9-12-6-7-13(15)8-11(12)3/h6-8,14,16H,4-5,9-10H2,1-3H3
InChIKeyZKAZAWCGFRPSFI-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347786
1-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135476
[1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225306
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 105050949
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine
CID 114012714
N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine
CID 105051215
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 114855538
[1-(2-chloro-5-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 102623322
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine
CID 105050994
N-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 65127910
1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114348126
N-ethyl-1-(5-fluoro-2-methylphenyl)hexan-2-amine
CID 105374122

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-ethylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-amine?
The IUPAC name of N-ethyl-1-ethylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-amine (CID 114347936) is N-ethyl-1-ethylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-ethylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-amine?
The canonical SMILES for N-ethyl-1-ethylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-amine is CCNC(CSCC)Cc1ccc(F)cc1C.
What is the InChIKey of N-ethyl-1-ethylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-amine?
The InChIKey is ZKAZAWCGFRPSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNS/c1-4-16-14(10-17-5-2)9-12-6-7-13(15)8-11(12)3/h6-8,14,16H,4-5,9-10H2,1-3H3.
What are the key properties of N-ethyl-1-ethylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-amine?
N-ethyl-1-ethylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-amine has a molecular weight of 255.40 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-ethylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-amine is sourced from PubChem (CID 114347936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).