N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-methylsulfanylcyclopentan-1-amine

C15H21F2NOS — CID 103711220

IUPACN-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCC(NC(C)c2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C15H21F2NOS/c1-10(18-12-5-8-14(9-12)20-2)11-3-6-13(7-4-11)19-15(16)17/h3-4,6-7,10,12,14-15,18H,5,8-9H2,1-2H3
InChIKeyNMSLQBWGGJXVCW-UHFFFAOYSA-N
MW301.40 g/mol
LogP4.22
Rot. Bonds6

About N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-methylsulfanylcyclopentan-1-amine

N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-methylsulfanylcyclopentan-1-amine (PubChem CID 103711220) has the molecular formula C15H21F2NOS and a molecular weight of 301.40 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-methylsulfanylcyclopentan-1-amine
PubChem CID103711220
Molecular FormulaC15H21F2NOS
Molecular Weight301.40 g/mol
Exact Mass301.13
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCC(NC(C)c2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C15H21F2NOS/c1-10(18-12-5-8-14(9-12)20-2)11-3-6-13(7-4-11)19-15(16)17/h3-4,6-7,10,12,14-15,18H,5,8-9H2,1-2H3
InChIKeyNMSLQBWGGJXVCW-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113245740
3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine
CID 103786848
3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 103786809
N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113262284
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103926269
N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103786780
N-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide
CID 103786748
3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 103911013
5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol
CID 104582755
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 102612848
N-[1-(4-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103711389
2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzene-1,4-diol
CID 114122802

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-methylsulfanylcyclopentan-1-amine (CID 103711220) is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-methylsulfanylcyclopentan-1-amine is CSC1CCC(NC(C)c2ccc(OC(F)F)cc2)C1.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-methylsulfanylcyclopentan-1-amine?
The InChIKey is NMSLQBWGGJXVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NOS/c1-10(18-12-5-8-14(9-12)20-2)11-3-6-13(7-4-11)19-15(16)17/h3-4,6-7,10,12,14-15,18H,5,8-9H2,1-2H3.
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-methylsulfanylcyclopentan-1-amine?
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-methylsulfanylcyclopentan-1-amine has a molecular weight of 301.40 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103711220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).