1-[4-(cyclopentylmethylsulfanyl)-3-fluorophenyl]-N-methylethanamine

C15H22FNS — CID 63119798

IUPAC1-[4-(cyclopentylmethylsulfanyl)-3-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(SCC2CCCC2)c(F)c1
InChIInChI=1S/C15H22FNS/c1-11(17-2)13-7-8-15(14(16)9-13)18-10-12-5-3-4-6-12/h7-9,11-12,17H,3-6,10H2,1-2H3
InChIKeyUCWOUDCYZLSFAX-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.39
Rot. Bonds5

About 1-[4-(cyclopentylmethylsulfanyl)-3-fluorophenyl]-N-methylethanamine

1-[4-(cyclopentylmethylsulfanyl)-3-fluorophenyl]-N-methylethanamine (PubChem CID 63119798) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-[4-(cyclopentylmethylsulfanyl)-3-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(cyclopentylmethylsulfanyl)-3-fluorophenyl]-N-methylethanamine
PubChem CID63119798
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC Name1-[4-(cyclopentylmethylsulfanyl)-3-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(SCC2CCCC2)c(F)c1
InChIInChI=1S/C15H22FNS/c1-11(17-2)13-7-8-15(14(16)9-13)18-10-12-5-3-4-6-12/h7-9,11-12,17H,3-6,10H2,1-2H3
InChIKeyUCWOUDCYZLSFAX-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]-N-methylethanamine
CID 106494705
1-(3-fluoro-4-propan-2-ylsulfanylphenyl)-N-methylethanamine
CID 60884307
(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)-N-methylethanamine
CID 142399949
N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
CID 43216007
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
N-[1-[3-bromo-4-(cyclopentylmethylsulfanyl)phenyl]ethyl]propan-1-amine
CID 63532769
1-[3-fluoro-4-(oxan-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43285198
3-[2-fluoro-4-[1-(methylamino)ethyl]phenyl]sulfanylbutan-1-ol
CID 66138579
1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43285091
N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine
CID 43081886
1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 107911160
2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol
CID 29038942

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentylmethylsulfanyl)-3-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(cyclopentylmethylsulfanyl)-3-fluorophenyl]-N-methylethanamine (CID 63119798) is 1-[4-(cyclopentylmethylsulfanyl)-3-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(cyclopentylmethylsulfanyl)-3-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(cyclopentylmethylsulfanyl)-3-fluorophenyl]-N-methylethanamine is CNC(C)c1ccc(SCC2CCCC2)c(F)c1.
What is the InChIKey of 1-[4-(cyclopentylmethylsulfanyl)-3-fluorophenyl]-N-methylethanamine?
The InChIKey is UCWOUDCYZLSFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-11(17-2)13-7-8-15(14(16)9-13)18-10-12-5-3-4-6-12/h7-9,11-12,17H,3-6,10H2,1-2H3.
What are the key properties of 1-[4-(cyclopentylmethylsulfanyl)-3-fluorophenyl]-N-methylethanamine?
1-[4-(cyclopentylmethylsulfanyl)-3-fluorophenyl]-N-methylethanamine has a molecular weight of 267.41 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentylmethylsulfanyl)-3-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 63119798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).