[2-(cyclopentylmethylsulfanyl)-4-methoxyphenyl]methanamine

C14H21NOS — CID 81305086

IUPAC[2-(cyclopentylmethylsulfanyl)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(SCC2CCCC2)c1
InChIInChI=1S/C14H21NOS/c1-16-13-7-6-12(9-15)14(8-13)17-10-11-4-2-3-5-11/h6-8,11H,2-5,9-10,15H2,1H3
InChIKeyWMKJIXRXRBXFTD-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.44
Rot. Bonds5

About [2-(cyclopentylmethylsulfanyl)-4-methoxyphenyl]methanamine

[2-(cyclopentylmethylsulfanyl)-4-methoxyphenyl]methanamine (PubChem CID 81305086) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is [2-(cyclopentylmethylsulfanyl)-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(cyclopentylmethylsulfanyl)-4-methoxyphenyl]methanamine
PubChem CID81305086
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name[2-(cyclopentylmethylsulfanyl)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(SCC2CCCC2)c1
InChIInChI=1S/C14H21NOS/c1-16-13-7-6-12(9-15)14(8-13)17-10-11-4-2-3-5-11/h6-8,11H,2-5,9-10,15H2,1H3
InChIKeyWMKJIXRXRBXFTD-UHFFFAOYSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclobutylmethylsulfanyl)-4-methoxyaniline
CID 79518188
2-(aminomethyl)-N-cyclohexyl-5-methoxy-N-methylaniline
CID 81298046
2-[4-bromo-2-(cyclopentylmethylsulfanyl)phenyl]ethanamine
CID 63820383
[2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine
CID 81303475
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
[2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine
CID 81298987
2-[2-(cyclopentylmethoxy)-5-methoxyphenyl]ethanamine
CID 61343767
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 63504313
[2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine
CID 107275264
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
CID 155696635
CID 155696635
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-methoxyphenyl]methanamine
CID 81299524

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylmethylsulfanyl)-4-methoxyphenyl]methanamine?
The IUPAC name of [2-(cyclopentylmethylsulfanyl)-4-methoxyphenyl]methanamine (CID 81305086) is [2-(cyclopentylmethylsulfanyl)-4-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(cyclopentylmethylsulfanyl)-4-methoxyphenyl]methanamine?
The canonical SMILES for [2-(cyclopentylmethylsulfanyl)-4-methoxyphenyl]methanamine is COc1ccc(CN)c(SCC2CCCC2)c1.
What is the InChIKey of [2-(cyclopentylmethylsulfanyl)-4-methoxyphenyl]methanamine?
The InChIKey is WMKJIXRXRBXFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-16-13-7-6-12(9-15)14(8-13)17-10-11-4-2-3-5-11/h6-8,11H,2-5,9-10,15H2,1H3.
What are the key properties of [2-(cyclopentylmethylsulfanyl)-4-methoxyphenyl]methanamine?
[2-(cyclopentylmethylsulfanyl)-4-methoxyphenyl]methanamine has a molecular weight of 251.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylmethylsulfanyl)-4-methoxyphenyl]methanamine is sourced from PubChem (CID 81305086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).