[2-(cyclopentylmethylsulfanylmethyl)-4-fluorophenyl]methanamine

C14H20FNS — CID 64765035

IUPAC[2-(cyclopentylmethylsulfanylmethyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1CSCC1CCCC1
InChIInChI=1S/C14H20FNS/c15-14-6-5-12(8-16)13(7-14)10-17-9-11-3-1-2-4-11/h5-7,11H,1-4,8-10,16H2
InChIKeyBTBSZJQKGZYNQH-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.71
Rot. Bonds5

About [2-(cyclopentylmethylsulfanylmethyl)-4-fluorophenyl]methanamine

[2-(cyclopentylmethylsulfanylmethyl)-4-fluorophenyl]methanamine (PubChem CID 64765035) has the molecular formula C14H20FNS and a molecular weight of 253.39 g/mol. Its IUPAC name is [2-(cyclopentylmethylsulfanylmethyl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(cyclopentylmethylsulfanylmethyl)-4-fluorophenyl]methanamine
PubChem CID64765035
Molecular FormulaC14H20FNS
Molecular Weight253.39 g/mol
Exact Mass253.13
IUPAC Name[2-(cyclopentylmethylsulfanylmethyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1CSCC1CCCC1
InChIInChI=1S/C14H20FNS/c15-14-6-5-12(8-16)13(7-14)10-17-9-11-3-1-2-4-11/h5-7,11H,1-4,8-10,16H2
InChIKeyBTBSZJQKGZYNQH-UHFFFAOYSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(cyclopentylmethylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-amine
CID 63120077
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[3-(cyclopentylmethylsulfanylmethyl)-4-methoxyphenyl]methanamine
CID 64626991
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 64770644
[2-(benzylsulfanylmethyl)-5-fluorophenyl]methanamine
CID 55172896
[2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine
CID 106199490
1-bromo-3-(cyclopentylmethylsulfanylmethyl)-5-fluorobenzene
CID 79701580
[4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 64764660
(2-cyclopropyl-4-fluorophenyl)methanamine;hydrochloride
CID 154810076
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol
CID 102631680
[4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine
CID 64763920

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylmethylsulfanylmethyl)-4-fluorophenyl]methanamine?
The IUPAC name of [2-(cyclopentylmethylsulfanylmethyl)-4-fluorophenyl]methanamine (CID 64765035) is [2-(cyclopentylmethylsulfanylmethyl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [2-(cyclopentylmethylsulfanylmethyl)-4-fluorophenyl]methanamine?
The canonical SMILES for [2-(cyclopentylmethylsulfanylmethyl)-4-fluorophenyl]methanamine is NCc1ccc(F)cc1CSCC1CCCC1.
What is the InChIKey of [2-(cyclopentylmethylsulfanylmethyl)-4-fluorophenyl]methanamine?
The InChIKey is BTBSZJQKGZYNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS/c15-14-6-5-12(8-16)13(7-14)10-17-9-11-3-1-2-4-11/h5-7,11H,1-4,8-10,16H2.
What are the key properties of [2-(cyclopentylmethylsulfanylmethyl)-4-fluorophenyl]methanamine?
[2-(cyclopentylmethylsulfanylmethyl)-4-fluorophenyl]methanamine has a molecular weight of 253.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylmethylsulfanylmethyl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 64765035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).