N-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine

C18H20FNS — CID 63808332

IUPACN-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1Sc1ccc2c(c1)CCC2
InChIInChI=1S/C18H20FNS/c1-2-20-12-15-10-16(19)7-9-18(15)21-17-8-6-13-4-3-5-14(13)11-17/h6-11,20H,2-5,12H2,1H3
InChIKeyVJBQOVKVMSLEQR-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.58
Rot. Bonds5

About N-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine

N-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine (PubChem CID 63808332) has the molecular formula C18H20FNS and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine
PubChem CID63808332
Molecular FormulaC18H20FNS
Molecular Weight301.43 g/mol
Exact Mass301.13
IUPAC NameN-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1Sc1ccc2c(c1)CCC2
InChIInChI=1S/C18H20FNS/c1-2-20-12-15-10-16(19)7-9-18(15)21-17-8-6-13-4-3-5-14(13)11-17/h6-11,20H,2-5,12H2,1H3
InChIKeyVJBQOVKVMSLEQR-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine
CID 63820160
N-[[4-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine
CID 114864251
N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine
CID 63809220
N-[[2-(cyclopentylmethylsulfanyl)-5-fluorophenyl]methyl]ethanamine
CID 63814545
N-[(2-butan-2-ylsulfanyl-5-fluorophenyl)methyl]ethanamine
CID 63806400
[5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methanol
CID 114865485
1-[2-(3,4-dimethylphenyl)sulfanyl-5-fluorophenyl]-N-methylmethanamine
CID 63804444
N-[[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]propan-1-amine
CID 63813190
N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]ethanamine
CID 63808250
N-[[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]ethanamine
CID 63807872
N-[1-(2,5-difluorophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 46591264
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine (CID 63808332) is N-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine is CCNCc1cc(F)ccc1Sc1ccc2c(c1)CCC2.
What is the InChIKey of N-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine?
The InChIKey is VJBQOVKVMSLEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNS/c1-2-20-12-15-10-16(19)7-9-18(15)21-17-8-6-13-4-3-5-14(13)11-17/h6-11,20H,2-5,12H2,1H3.
What are the key properties of N-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine?
N-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine has a molecular weight of 301.43 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 63808332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).