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

C15H23NOS — CID 113262284

IUPACN-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCOc1ccccc1C(C)NC1CCC(SC)C1
InChIInChI=1S/C15H23NOS/c1-11(14-6-4-5-7-15(14)17-2)16-12-8-9-13(10-12)18-3/h4-7,11-13,16H,8-10H2,1-3H3
InChIKeyGGFJFJITDVFILJ-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.63
Rot. Bonds5

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

N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine (PubChem CID 113262284) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
PubChem CID113262284
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCOc1ccccc1C(C)NC1CCC(SC)C1
InChIInChI=1S/C15H23NOS/c1-11(14-6-4-5-7-15(14)17-2)16-12-8-9-13(10-12)18-3/h4-7,11-13,16H,8-10H2,1-3H3
InChIKeyGGFJFJITDVFILJ-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-(2-fluoro-6-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103926269
3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 81397757
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine
CID 103784544
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81397729
N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81396947
N-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine
CID 114122278
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81398024
N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
CID 81397820
N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine
CID 81397207
N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103786780
N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43180903
2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzene-1,4-diol
CID 114122802

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine (CID 113262284) is N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine is COc1ccccc1C(C)NC1CCC(SC)C1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine?
The InChIKey is GGFJFJITDVFILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11(14-6-4-5-7-15(14)17-2)16-12-8-9-13(10-12)18-3/h4-7,11-13,16H,8-10H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine?
N-[1-(2-methoxyphenyl)ethyl]-3-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-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 113262284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).