1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine

C12H19FN2S — CID 112657342

IUPAC1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCN(C)C(CN)c1ccc(F)cc1
InChIInChI=1S/C12H19FN2S/c1-15(7-8-16-2)12(9-14)10-3-5-11(13)6-4-10/h3-6,12H,7-9,14H2,1-2H3
InChIKeyBNALKTGSHOYVLE-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.12
Rot. Bonds6

About 1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine

1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (PubChem CID 112657342) has the molecular formula C12H19FN2S and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
PubChem CID112657342
Molecular FormulaC12H19FN2S
Molecular Weight242.36 g/mol
Exact Mass242.13
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCN(C)C(CN)c1ccc(F)cc1
InChIInChI=1S/C12H19FN2S/c1-15(7-8-16-2)12(9-14)10-3-5-11(13)6-4-10/h3-6,12H,7-9,14H2,1-2H3
InChIKeyBNALKTGSHOYVLE-UHFFFAOYSA-N
XLogP2.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 106528761
1-(4-bromophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657404
N-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine
CID 112657406
1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271043
1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658133
1-(4-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658234
1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658297
N-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 112658310
1-(3-bromo-4-methylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 105405164
1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43271936
1-(3-bromophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657494
1-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 115985624

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (CID 112657342) is 1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is CSCCN(C)C(CN)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is BNALKTGSHOYVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2S/c1-15(7-8-16-2)12(9-14)10-3-5-11(13)6-4-10/h3-6,12H,7-9,14H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 242.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 112657342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).