2,2-difluoro-N-methyl-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]ethanamine

C14H18F2N2S — CID 172624964

IUPAC2,2-difluoro-N-methyl-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]ethanamine
SMILESCSc1ccc2[nH]cc(CCN(C)CC(F)F)c2c1
InChIInChI=1S/C14H18F2N2S/c1-18(9-14(15)16)6-5-10-8-17-13-4-3-11(19-2)7-12(10)13/h3-4,7-8,14,17H,5-6,9H2,1-2H3
InChIKeyLXMSVYLNNTXTIW-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.63
Rot. Bonds6

About 2,2-difluoro-N-methyl-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]ethanamine

2,2-difluoro-N-methyl-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]ethanamine (PubChem CID 172624964) has the molecular formula C14H18F2N2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]ethanamine
PubChem CID172624964
Molecular FormulaC14H18F2N2S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2,2-difluoro-N-methyl-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]ethanamine
SMILESCSc1ccc2[nH]cc(CCN(C)CC(F)F)c2c1
InChIInChI=1S/C14H18F2N2S/c1-18(9-14(15)16)6-5-10-8-17-13-4-3-11(19-2)7-12(10)13/h3-4,7-8,14,17H,5-6,9H2,1-2H3
InChIKeyLXMSVYLNNTXTIW-UHFFFAOYSA-N
XLogP3.63
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-ethyl-5-methylsulfanyl-1H-indole
CID 142069450
N,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine
CID 172578416
2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
CID 169001087
3,3,3-trifluoro-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 172624961
N,N-dimethyl-2-[5-(2,2,2-trifluoroethylsulfanyl)-1H-indol-3-yl]ethanamine
CID 172578423
2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 54378350
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine
CID 166158013
2-amino-3-(5-methylsulfanyl-1H-indol-3-yl)propanoic acid
CID 86104362
N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine
CID 156836218
N,N-dimethyl-2-(5-pyridin-2-ylsulfanyl-1H-indol-3-yl)ethanamine
CID 176862279
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine
CID 177026311

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-methyl-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]ethanamine (CID 172624964) is 2,2-difluoro-N-methyl-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-methyl-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-methyl-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]ethanamine is CSc1ccc2[nH]cc(CCN(C)CC(F)F)c2c1.
What is the InChIKey of 2,2-difluoro-N-methyl-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]ethanamine?
The InChIKey is LXMSVYLNNTXTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2S/c1-18(9-14(15)16)6-5-10-8-17-13-4-3-11(19-2)7-12(10)13/h3-4,7-8,14,17H,5-6,9H2,1-2H3.
What are the key properties of 2,2-difluoro-N-methyl-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]ethanamine?
2,2-difluoro-N-methyl-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]ethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 172624964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).