N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine

C15H22ClNS — CID 103711361

IUPACN-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine
SMILESCCSC1CCC(NC(C)c2ccccc2Cl)C1
InChIInChI=1S/C15H22ClNS/c1-3-18-13-9-8-12(10-13)17-11(2)14-6-4-5-7-15(14)16/h4-7,11-13,17H,3,8-10H2,1-2H3
InChIKeyKNCLHROGRYCLPZ-UHFFFAOYSA-N
MW283.87 g/mol
LogP4.66
Rot. Bonds5

About N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine

N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine (PubChem CID 103711361) has the molecular formula C15H22ClNS and a molecular weight of 283.87 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine
PubChem CID103711361
Molecular FormulaC15H22ClNS
Molecular Weight283.87 g/mol
Exact Mass283.12
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine
SMILESCCSC1CCC(NC(C)c2ccccc2Cl)C1
InChIInChI=1S/C15H22ClNS/c1-3-18-13-9-8-12(10-13)17-11(2)14-6-4-5-7-15(14)16/h4-7,11-13,17H,3,8-10H2,1-2H3
InChIKeyKNCLHROGRYCLPZ-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.87
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103711389
N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81377645
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
CID 29040454
N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
CID 43079434
3-ethylsulfanyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]cyclopentan-1-amine
CID 103787286
1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine
CID 81377651
N-[(1R)-1-(2-chlorophenyl)ethyl]thian-4-amine
CID 81376998
N-[1-(2-chlorophenyl)ethyl]oxan-4-amine
CID 43608488
N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471035
1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine
CID 43748320
4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide
CID 97113685
3-ethylsulfanyl-N-[1-(4-nitrophenyl)ethyl]cyclopentan-1-amine
CID 103734615

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine (CID 103711361) is N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine is CCSC1CCC(NC(C)c2ccccc2Cl)C1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine?
The InChIKey is KNCLHROGRYCLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNS/c1-3-18-13-9-8-12(10-13)17-11(2)14-6-4-5-7-15(14)16/h4-7,11-13,17H,3,8-10H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine?
N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine has a molecular weight of 283.87 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103711361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).