N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine

C15H23NOS — CID 114122843

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCOCc1ccccc1CNC1CCC(SC)C1
InChIInChI=1S/C15H23NOS/c1-17-11-13-6-4-3-5-12(13)10-16-14-7-8-15(9-14)18-2/h3-6,14-16H,7-11H2,1-2H3
InChIKeyUAJGNHWSTVBIOE-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.21
Rot. Bonds6

About N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine

N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine (PubChem CID 114122843) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine
PubChem CID114122843
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCOCc1ccccc1CNC1CCC(SC)C1
InChIInChI=1S/C15H23NOS/c1-17-11-13-6-4-3-5-12(13)10-16-14-7-8-15(9-14)18-2/h3-6,14-16H,7-11H2,1-2H3
InChIKeyUAJGNHWSTVBIOE-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701474
3-methylsulfanyl-N-[(2-nitrophenyl)methyl]cyclopentan-1-amine
CID 103926173
N-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine
CID 60743823
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine
CID 103776706
4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine
CID 65083589
3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 103701386
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701328
N-(1H-indol-7-ylmethyl)-3-methylsulfanylcyclopentan-1-amine
CID 103701472
4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 103953607
3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 115656374
methyl 3-[[(3-methylsulfanylcyclopentyl)amino]methyl]furan-2-carboxylate
CID 113352461
N-[[2-(methoxymethyl)phenyl]methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301779

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine (CID 114122843) is N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine is COCc1ccccc1CNC1CCC(SC)C1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine?
The InChIKey is UAJGNHWSTVBIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-17-11-13-6-4-3-5-12(13)10-16-14-7-8-15(9-14)18-2/h3-6,14-16H,7-11H2,1-2H3.
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine?
N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 114122843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).