1-(5-fluoro-2-methylphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine

C14H23FN2S — CID 114075583

IUPAC1-(5-fluoro-2-methylphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
SMILESCSCC(C)N(C)C(CN)c1cc(F)ccc1C
InChIInChI=1S/C14H23FN2S/c1-10-5-6-12(15)7-13(10)14(8-16)17(3)11(2)9-18-4/h5-7,11,14H,8-9,16H2,1-4H3
InChIKeyNYWLTGMMTLTEOM-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.82
Rot. Bonds6

About 1-(5-fluoro-2-methylphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine

1-(5-fluoro-2-methylphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine (PubChem CID 114075583) has the molecular formula C14H23FN2S and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
PubChem CID114075583
Molecular FormulaC14H23FN2S
Molecular Weight270.42 g/mol
Exact Mass270.16
IUPAC Name1-(5-fluoro-2-methylphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
SMILESCSCC(C)N(C)C(CN)c1cc(F)ccc1C
InChIInChI=1S/C14H23FN2S/c1-10-5-6-12(15)7-13(10)14(8-16)17(3)11(2)9-18-4/h5-7,11,14H,8-9,16H2,1-4H3
InChIKeyNYWLTGMMTLTEOM-UHFFFAOYSA-N
XLogP2.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658587
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658610
1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol
CID 62791337
2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine
CID 112562567
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 103955080
1-(2-bromo-4-fluorophenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 114059954
4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine
CID 112657072
(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517054
1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570816
2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112666798
N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 43272751
N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 115985746

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine (CID 114075583) is 1-(5-fluoro-2-methylphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine is CSCC(C)N(C)C(CN)c1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine?
The InChIKey is NYWLTGMMTLTEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2S/c1-10-5-6-12(15)7-13(10)14(8-16)17(3)11(2)9-18-4/h5-7,11,14H,8-9,16H2,1-4H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine?
1-(5-fluoro-2-methylphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine has a molecular weight of 270.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 114075583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).