N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine

C17H20FNS — CID 66086617

IUPACN-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1cccc(C)c1)c1cccc(F)c1
InChIInChI=1S/C17H20FNS/c1-3-19-17(14-7-5-8-15(18)11-14)12-20-16-9-4-6-13(2)10-16/h4-11,17,19H,3,12H2,1-2H3
InChIKeyDQWFBVCPGQWOOG-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.58
Rot. Bonds6

About N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine

N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine (PubChem CID 66086617) has the molecular formula C17H20FNS and a molecular weight of 289.42 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
PubChem CID66086617
Molecular FormulaC17H20FNS
Molecular Weight289.42 g/mol
Exact Mass289.13
IUPAC NameN-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1cccc(C)c1)c1cccc(F)c1
InChIInChI=1S/C17H20FNS/c1-3-19-17(14-7-5-8-15(18)11-14)12-20-16-9-4-6-13(2)10-16/h4-11,17,19H,3,12H2,1-2H3
InChIKeyDQWFBVCPGQWOOG-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 79697557
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
CID 64619202
N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine
CID 66086423
N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374715
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 107560395
N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine
CID 66086234
N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 64626083
1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072488
1-(2,4-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627094
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627095
N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 64628097
N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine
CID 66073333

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine (CID 66086617) is N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine is CCNC(CSc1cccc(C)c1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine?
The InChIKey is DQWFBVCPGQWOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNS/c1-3-19-17(14-7-5-8-15(18)11-14)12-20-16-9-4-6-13(2)10-16/h4-11,17,19H,3,12H2,1-2H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine?
N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine has a molecular weight of 289.42 g/mol, XLogP of 4.58, 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-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 66086617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).