1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine

C11H15F2NS — CID 63983699

IUPAC1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine
SMILESCSCCNC(C)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NS/c1-8(14-5-6-15-2)10-7-9(12)3-4-11(10)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyCYJPHSQIGLTBKW-UHFFFAOYSA-N
MW231.31 g/mol
LogP2.98
Rot. Bonds5

About 1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine

1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine (PubChem CID 63983699) has the molecular formula C11H15F2NS and a molecular weight of 231.31 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine
PubChem CID63983699
Molecular FormulaC11H15F2NS
Molecular Weight231.31 g/mol
Exact Mass231.09
IUPAC Name1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine
SMILESCSCCNC(C)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NS/c1-8(14-5-6-15-2)10-7-9(12)3-4-11(10)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyCYJPHSQIGLTBKW-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
N-[1-(2,5-difluorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 115900168
N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 55176100
N-[1-(2,5-difluorophenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115639051
4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol
CID 64912368
1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62762989
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43728630
N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine
CID 115325076
N-[1-(2,5-difluorophenyl)ethyl]pent-3-yn-1-amine
CID 104758066
N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 115721526
N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102977960
1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine (CID 63983699) is 1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine is CSCCNC(C)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine?
The InChIKey is CYJPHSQIGLTBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NS/c1-8(14-5-6-15-2)10-7-9(12)3-4-11(10)13/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine?
1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine has a molecular weight of 231.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine is sourced from PubChem (CID 63983699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).