N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine

C18H22FNS — CID 66064232

IUPACN-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1ccc(C)cc1)c1ccc(F)c(C)c1
InChIInChI=1S/C18H22FNS/c1-4-20-18(15-7-10-17(19)14(3)11-15)12-21-16-8-5-13(2)6-9-16/h5-11,18,20H,4,12H2,1-3H3
InChIKeyLWPXDZOYRGCHFR-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.89
Rot. Bonds6

About N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine

N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine (PubChem CID 66064232) has the molecular formula C18H22FNS and a molecular weight of 303.45 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
PubChem CID66064232
Molecular FormulaC18H22FNS
Molecular Weight303.45 g/mol
Exact Mass303.15
IUPAC NameN-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1ccc(C)cc1)c1ccc(F)c(C)c1
InChIInChI=1S/C18H22FNS/c1-4-20-18(15-7-10-17(19)14(3)11-15)12-21-16-8-5-13(2)6-9-16/h5-11,18,20H,4,12H2,1-3H3
InChIKeyLWPXDZOYRGCHFR-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-2-(4-fluoro-3-methylphenyl)ethanol
CID 62119943
N-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 79092535
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine
CID 105395115
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine
CID 64633518
N-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]propan-1-amine
CID 63424528
3-(ethylamino)-3-(4-fluoro-3-methylphenyl)propanamide
CID 65234003
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
CID 64619202
N-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine
CID 66066591
N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086617
N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine
CID 66066987
1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine
CID 66065312
2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 64620365

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine?
The IUPAC name of N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine (CID 66064232) is N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine?
The canonical SMILES for N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine is CCNC(CSc1ccc(C)cc1)c1ccc(F)c(C)c1.
What is the InChIKey of N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine?
The InChIKey is LWPXDZOYRGCHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNS/c1-4-20-18(15-7-10-17(19)14(3)11-15)12-21-16-8-5-13(2)6-9-16/h5-11,18,20H,4,12H2,1-3H3.
What are the key properties of N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine?
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine has a molecular weight of 303.45 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 66064232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).