(3-ethyl-1,4-dithian-2-yl)-(4-fluoro-2-methylphenyl)methanamine

C14H20FNS2 — CID 113299684

IUPAC(3-ethyl-1,4-dithian-2-yl)-(4-fluoro-2-methylphenyl)methanamine
SMILESCCC1SCCSC1C(N)c1ccc(F)cc1C
InChIInChI=1S/C14H20FNS2/c1-3-12-14(18-7-6-17-12)13(16)11-5-4-10(15)8-9(11)2/h4-5,8,12-14H,3,6-7,16H2,1-2H3
InChIKeyCKNVHTFMMMSAKX-UHFFFAOYSA-N
MW285.45 g/mol
LogP3.76
Rot. Bonds3

About (3-ethyl-1,4-dithian-2-yl)-(4-fluoro-2-methylphenyl)methanamine

(3-ethyl-1,4-dithian-2-yl)-(4-fluoro-2-methylphenyl)methanamine (PubChem CID 113299684) has the molecular formula C14H20FNS2 and a molecular weight of 285.45 g/mol. Its IUPAC name is (3-ethyl-1,4-dithian-2-yl)-(4-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-ethyl-1,4-dithian-2-yl)-(4-fluoro-2-methylphenyl)methanamine
PubChem CID113299684
Molecular FormulaC14H20FNS2
Molecular Weight285.45 g/mol
Exact Mass285.10
IUPAC Name(3-ethyl-1,4-dithian-2-yl)-(4-fluoro-2-methylphenyl)methanamine
SMILESCCC1SCCSC1C(N)c1ccc(F)cc1C
InChIInChI=1S/C14H20FNS2/c1-3-12-14(18-7-6-17-12)13(16)11-5-4-10(15)8-9(11)2/h4-5,8,12-14H,3,6-7,16H2,1-2H3
InChIKeyCKNVHTFMMMSAKX-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-ethyl-1,4-dithian-2-yl)-(4-fluoro-2-methylphenyl)methanamine with MolForge

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Launch Full Analysis

Related Compounds

(4-chloro-2-fluorophenyl)-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 115387570
(3-ethyl-1,4-dithian-2-yl)-(3-fluoro-4-methylphenyl)methanamine
CID 107129073
[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105259997
(3-ethyl-1,4-dithian-2-yl)-(2-methylthiophen-3-yl)methanamine
CID 102833588
(3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881896
(3-ethyl-1,4-dithian-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 115387497
N-[(3-ethyl-1,4-dithian-2-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 115388258
(3-ethyl-1,4-dithian-2-yl)-(3-methylphenyl)methanamine
CID 113299656
cyclopentyl-(4-fluoro-2-methylphenyl)methanamine
CID 62790372
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
6-bicyclo[3.1.0]hexanyl-(4-fluoro-2-methylphenyl)methanamine
CID 115852356
1-adamantyl-(4-fluoro-2-methylphenyl)methanamine
CID 63416233

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,4-dithian-2-yl)-(4-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (3-ethyl-1,4-dithian-2-yl)-(4-fluoro-2-methylphenyl)methanamine (CID 113299684) is (3-ethyl-1,4-dithian-2-yl)-(4-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (3-ethyl-1,4-dithian-2-yl)-(4-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (3-ethyl-1,4-dithian-2-yl)-(4-fluoro-2-methylphenyl)methanamine is CCC1SCCSC1C(N)c1ccc(F)cc1C.
What is the InChIKey of (3-ethyl-1,4-dithian-2-yl)-(4-fluoro-2-methylphenyl)methanamine?
The InChIKey is CKNVHTFMMMSAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS2/c1-3-12-14(18-7-6-17-12)13(16)11-5-4-10(15)8-9(11)2/h4-5,8,12-14H,3,6-7,16H2,1-2H3.
What are the key properties of (3-ethyl-1,4-dithian-2-yl)-(4-fluoro-2-methylphenyl)methanamine?
(3-ethyl-1,4-dithian-2-yl)-(4-fluoro-2-methylphenyl)methanamine has a molecular weight of 285.45 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,4-dithian-2-yl)-(4-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 113299684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).