N-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine

C14H22FNS — CID 79704702

IUPACN-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine
SMILESCCNC(CSC(C)C)c1cc(C)cc(F)c1
InChIInChI=1S/C14H22FNS/c1-5-16-14(9-17-10(2)3)12-6-11(4)7-13(15)8-12/h6-8,10,14,16H,5,9H2,1-4H3
InChIKeyWOYKWXGUAYRDII-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.93
Rot. Bonds6

About N-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine

N-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine (PubChem CID 79704702) has the molecular formula C14H22FNS and a molecular weight of 255.40 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine
PubChem CID79704702
Molecular FormulaC14H22FNS
Molecular Weight255.40 g/mol
Exact Mass255.15
IUPAC NameN-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine
SMILESCCNC(CSC(C)C)c1cc(C)cc(F)c1
InChIInChI=1S/C14H22FNS/c1-5-16-14(9-17-10(2)3)12-6-11(4)7-13(15)8-12/h6-8,10,14,16H,5,9H2,1-4H3
InChIKeyWOYKWXGUAYRDII-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine
CID 65136205
N-ethyl-1-(3-fluoro-5-methylphenyl)butan-1-amine
CID 79705267
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 79697557
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 79704346
N-[2-ethylsulfanyl-1-(3-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 79704216
1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66098648
2-cyclopropyl-N-ethyl-1-(3-fluoro-5-methylphenyl)propan-1-amine
CID 105016424
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine
CID 83182969
N-ethyl-2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64633057
N-[(2,6-dimethyl-4-pyridinyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 107503885
N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105016496
N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086617

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine?
The IUPAC name of N-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine (CID 79704702) is N-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for N-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine is CCNC(CSC(C)C)c1cc(C)cc(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine?
The InChIKey is WOYKWXGUAYRDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNS/c1-5-16-14(9-17-10(2)3)12-6-11(4)7-13(15)8-12/h6-8,10,14,16H,5,9H2,1-4H3.
What are the key properties of N-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine?
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine has a molecular weight of 255.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 79704702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).