N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine

C18H22FNS — CID 79697557

IUPACN-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1cccc(C)c1)c1cc(C)cc(F)c1
InChIInChI=1S/C18H22FNS/c1-4-20-18(15-8-14(3)9-16(19)11-15)12-21-17-7-5-6-13(2)10-17/h5-11,18,20H,4,12H2,1-3H3
InChIKeyUCGSGMKAGJVJKF-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.89
Rot. Bonds6

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

N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine (PubChem CID 79697557) has the molecular formula C18H22FNS and a molecular weight of 303.45 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
PubChem CID79697557
Molecular FormulaC18H22FNS
Molecular Weight303.45 g/mol
Exact Mass303.15
IUPAC NameN-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1cccc(C)c1)c1cc(C)cc(F)c1
InChIInChI=1S/C18H22FNS/c1-4-20-18(15-8-14(3)9-16(19)11-15)12-21-17-7-5-6-13(2)10-17/h5-11,18,20H,4,12H2,1-3H3
InChIKeyUCGSGMKAGJVJKF-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

N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086617
[1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237281
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
CID 64619202
N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine
CID 66086234
N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine
CID 66086423
N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 64626083
N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374715
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine
CID 79704702
1-(2,4-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627094
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627095
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 107560395
N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 64628097

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine?
The IUPAC name of N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine (CID 79697557) is N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine?
The canonical SMILES for N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine is CCNC(CSc1cccc(C)c1)c1cc(C)cc(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine?
The InChIKey is UCGSGMKAGJVJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNS/c1-4-20-18(15-8-14(3)9-16(19)11-15)12-21-17-7-5-6-13(2)10-17/h5-11,18,20H,4,12H2,1-3H3.
What are the key properties of N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine?
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-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-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 79697557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).