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

C15H21F2NOS — CID 103786631

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCCC1NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H21F2NOS/c1-10(18-13-7-4-8-14(13)20-2)11-5-3-6-12(9-11)19-15(16)17/h3,5-6,9-10,13-15,18H,4,7-8H2,1-2H3
InChIKeyHPTIFXFOGVZAKG-UHFFFAOYSA-N
MW301.40 g/mol
LogP4.22
Rot. Bonds6

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

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine (PubChem CID 103786631) has the molecular formula C15H21F2NOS and a molecular weight of 301.40 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine
PubChem CID103786631
Molecular FormulaC15H21F2NOS
Molecular Weight301.40 g/mol
Exact Mass301.13
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCCC1NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H21F2NOS/c1-10(18-13-7-4-8-14(13)20-2)11-5-3-6-12(9-11)19-15(16)17/h3,5-6,9-10,13-15,18H,4,7-8H2,1-2H3
InChIKeyHPTIFXFOGVZAKG-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-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113250286
[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]cyclopentyl]methanol
CID 103786076
N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine
CID 43200712
1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine
CID 79458545
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106661841
N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786716
2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine
CID 103882855
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-methylsulfanylpropan-2-amine
CID 115721752
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786580
(1S)-1-[3-(difluoromethoxy)phenyl]-N-[(1,1-dioxothian-4-yl)methyl]ethanamine
CID 97108387
N-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine
CID 83007352

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine (CID 103786631) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine is CSC1CCCC1NC(C)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is HPTIFXFOGVZAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NOS/c1-10(18-13-7-4-8-14(13)20-2)11-5-3-6-12(9-11)19-15(16)17/h3,5-6,9-10,13-15,18H,4,7-8H2,1-2H3.
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-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-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103786631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).