N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine

C17H24F2N2O — CID 120915329

IUPACN-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESFc1cc(F)cc(CCNC2CCCC2C2COCCN2)c1
InChIInChI=1S/C17H24F2N2O/c18-13-8-12(9-14(19)10-13)4-5-20-16-3-1-2-15(16)17-11-22-7-6-21-17/h8-10,15-17,20-21H,1-7,11H2
InChIKeyZZBFAIRURDYGCT-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.25
Rot. Bonds5

About N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine

N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine (PubChem CID 120915329) has the molecular formula C17H24F2N2O and a molecular weight of 310.39 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
PubChem CID120915329
Molecular FormulaC17H24F2N2O
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESFc1cc(F)cc(CCNC2CCCC2C2COCCN2)c1
InChIInChI=1S/C17H24F2N2O/c18-13-8-12(9-14(19)10-13)4-5-20-16-3-1-2-15(16)17-11-22-7-6-21-17/h8-10,15-17,20-21H,1-7,11H2
InChIKeyZZBFAIRURDYGCT-UHFFFAOYSA-N
XLogP2.25
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-morpholin-3-yl-N-(2-naphthalen-2-ylethyl)cyclopentan-1-amine
CID 120914609
N-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913887
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine
CID 120915133
N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914249
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914266
N-[(4-fluoro-3-methylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914901
N-(3,3-dimethylbutyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120913877
2-morpholin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 120914007
N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914428
N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915014
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914820
2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine
CID 120914703

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine (CID 120915329) is N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine is Fc1cc(F)cc(CCNC2CCCC2C2COCCN2)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine?
The InChIKey is ZZBFAIRURDYGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O/c18-13-8-12(9-14(19)10-13)4-5-20-16-3-1-2-15(16)17-11-22-7-6-21-17/h8-10,15-17,20-21H,1-7,11H2.
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine?
N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine has a molecular weight of 310.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine is sourced from PubChem (CID 120915329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).