N-[[2-(cyclopentylmethylsulfanyl)-5-fluorophenyl]methyl]ethanamine

C15H22FNS — CID 63814545

IUPACN-[[2-(cyclopentylmethylsulfanyl)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1SCC1CCCC1
InChIInChI=1S/C15H22FNS/c1-2-17-10-13-9-14(16)7-8-15(13)18-11-12-5-3-4-6-12/h7-9,12,17H,2-6,10-11H2,1H3
InChIKeyRHTOLJOTDNWOTM-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.22
Rot. Bonds6

About N-[[2-(cyclopentylmethylsulfanyl)-5-fluorophenyl]methyl]ethanamine

N-[[2-(cyclopentylmethylsulfanyl)-5-fluorophenyl]methyl]ethanamine (PubChem CID 63814545) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[[2-(cyclopentylmethylsulfanyl)-5-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(cyclopentylmethylsulfanyl)-5-fluorophenyl]methyl]ethanamine
PubChem CID63814545
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC NameN-[[2-(cyclopentylmethylsulfanyl)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1SCC1CCCC1
InChIInChI=1S/C15H22FNS/c1-2-17-10-13-9-14(16)7-8-15(13)18-11-12-5-3-4-6-12/h7-9,12,17H,2-6,10-11H2,1H3
InChIKeyRHTOLJOTDNWOTM-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(cyclopentylmethylsulfanyl)-5-fluorophenyl]methyl]propan-1-amine
CID 55240804
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[(2-butan-2-ylsulfanyl-5-fluorophenyl)methyl]ethanamine
CID 63806400
N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]ethanamine
CID 113223119
N-[[2-(cyclopentylmethylsulfanyl)phenyl]methyl]propan-1-amine
CID 63814692
N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 63813322
N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 107399877
N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313923
N-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine
CID 63808332
tert-butyl 2-[2-(ethylaminomethyl)-4-fluorophenyl]sulfanylacetate
CID 116687775
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopentylmethylsulfanyl)-5-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(cyclopentylmethylsulfanyl)-5-fluorophenyl]methyl]ethanamine (CID 63814545) is N-[[2-(cyclopentylmethylsulfanyl)-5-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(cyclopentylmethylsulfanyl)-5-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(cyclopentylmethylsulfanyl)-5-fluorophenyl]methyl]ethanamine is CCNCc1cc(F)ccc1SCC1CCCC1.
What is the InChIKey of N-[[2-(cyclopentylmethylsulfanyl)-5-fluorophenyl]methyl]ethanamine?
The InChIKey is RHTOLJOTDNWOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-2-17-10-13-9-14(16)7-8-15(13)18-11-12-5-3-4-6-12/h7-9,12,17H,2-6,10-11H2,1H3.
What are the key properties of N-[[2-(cyclopentylmethylsulfanyl)-5-fluorophenyl]methyl]ethanamine?
N-[[2-(cyclopentylmethylsulfanyl)-5-fluorophenyl]methyl]ethanamine has a molecular weight of 267.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopentylmethylsulfanyl)-5-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 63814545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).