N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine

C15H23NOS — CID 113250286

IUPACN-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCOc1cccc(C(C)NC2CCCC2SC)c1
InChIInChI=1S/C15H23NOS/c1-11(12-6-4-7-13(10-12)17-2)16-14-8-5-9-15(14)18-3/h4,6-7,10-11,14-16H,5,8-9H2,1-3H3
InChIKeyIUROSGOYSQEQKT-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.63
Rot. Bonds5

About N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine

N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine (PubChem CID 113250286) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
PubChem CID113250286
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCOc1cccc(C(C)NC2CCCC2SC)c1
InChIInChI=1S/C15H23NOS/c1-11(12-6-4-7-13(10-12)17-2)16-14-8-5-9-15(14)18-3/h4,6-7,10-11,14-16H,5,8-9H2,1-3H3
InChIKeyIUROSGOYSQEQKT-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786631
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786580
[2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol
CID 103729783
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 81376200
N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786716
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 81375875
2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine
CID 103882855
N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786632
N-[1-(3-methoxyphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43195069
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 81382365
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786676

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine (CID 113250286) is N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine is COc1cccc(C(C)NC2CCCC2SC)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is IUROSGOYSQEQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11(12-6-4-7-13(10-12)17-2)16-14-8-5-9-15(14)18-3/h4,6-7,10-11,14-16H,5,8-9H2,1-3H3.
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine?
N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 113250286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).