N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine

C16H25NOS — CID 103702366

IUPACN-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
SMILESCCOc1ccc(CNC2CCC(SCC)C2)cc1
InChIInChI=1S/C16H25NOS/c1-3-18-15-8-5-13(6-9-15)12-17-14-7-10-16(11-14)19-4-2/h5-6,8-9,14,16-17H,3-4,7,10-12H2,1-2H3
InChIKeyOKWQOBCUOKYCMX-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.85
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine

N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine (PubChem CID 103702366) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
PubChem CID103702366
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
SMILESCCOc1ccc(CNC2CCC(SCC)C2)cc1
InChIInChI=1S/C16H25NOS/c1-3-18-15-8-5-13(6-9-15)12-17-14-7-10-16(11-14)19-4-2/h5-6,8-9,14,16-17H,3-4,7,10-12H2,1-2H3
InChIKeyOKWQOBCUOKYCMX-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine
CID 103702398
3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
CID 103701377
N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702377
N-[(4-chloro-3-fluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 113243621
N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532
3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 103702271
5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol
CID 103702283
N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine
CID 60657865
3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine
CID 115656792
N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 54950112
N-[(4-chloro-3-nitrophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702417

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine (CID 103702366) is N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine is CCOc1ccc(CNC2CCC(SCC)C2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine?
The InChIKey is OKWQOBCUOKYCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-3-18-15-8-5-13(6-9-15)12-17-14-7-10-16(11-14)19-4-2/h5-6,8-9,14,16-17H,3-4,7,10-12H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine?
N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103702366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).