2-[2-(5-fluoro-2-methylphenoxy)ethyl]-N-propylcyclopentan-1-amine

C17H26FNO — CID 102981137

IUPAC2-[2-(5-fluoro-2-methylphenoxy)ethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCOc1cc(F)ccc1C
InChIInChI=1S/C17H26FNO/c1-3-10-19-16-6-4-5-14(16)9-11-20-17-12-15(18)8-7-13(17)2/h7-8,12,14,16,19H,3-6,9-11H2,1-2H3
InChIKeyDWGZZVSFGFKKER-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.07
Rot. Bonds7

About 2-[2-(5-fluoro-2-methylphenoxy)ethyl]-N-propylcyclopentan-1-amine

2-[2-(5-fluoro-2-methylphenoxy)ethyl]-N-propylcyclopentan-1-amine (PubChem CID 102981137) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-[2-(5-fluoro-2-methylphenoxy)ethyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(5-fluoro-2-methylphenoxy)ethyl]-N-propylcyclopentan-1-amine
PubChem CID102981137
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name2-[2-(5-fluoro-2-methylphenoxy)ethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCOc1cc(F)ccc1C
InChIInChI=1S/C17H26FNO/c1-3-10-19-16-6-4-5-14(16)9-11-20-17-12-15(18)8-7-13(17)2/h7-8,12,14,16,19H,3-6,9-11H2,1-2H3
InChIKeyDWGZZVSFGFKKER-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine
CID 79572785
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-N-propylcyclopentan-1-amine
CID 79576350
N-methyl-2-[2-(2-methylphenoxy)ethyl]cyclopentan-1-amine
CID 79572787
2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine
CID 79587610
2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62197668
2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine
CID 62937136
2-[2-(3-bromophenoxy)ethyl]-N-propylcycloheptan-1-amine
CID 63403474
2-[2-(2-propoxyethoxy)ethyl]-N-propylcyclopentan-1-amine
CID 79573655
N-ethyl-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentan-1-amine
CID 79572317
N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
CID 102987275
6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine
CID 102986433
2-[2-(2-cyclobutylethoxy)ethyl]-N-propylcyclopentan-1-amine
CID 106200997

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-fluoro-2-methylphenoxy)ethyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[2-(5-fluoro-2-methylphenoxy)ethyl]-N-propylcyclopentan-1-amine (CID 102981137) is 2-[2-(5-fluoro-2-methylphenoxy)ethyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-(5-fluoro-2-methylphenoxy)ethyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[2-(5-fluoro-2-methylphenoxy)ethyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CCOc1cc(F)ccc1C.
What is the InChIKey of 2-[2-(5-fluoro-2-methylphenoxy)ethyl]-N-propylcyclopentan-1-amine?
The InChIKey is DWGZZVSFGFKKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-10-19-16-6-4-5-14(16)9-11-20-17-12-15(18)8-7-13(17)2/h7-8,12,14,16,19H,3-6,9-11H2,1-2H3.
What are the key properties of 2-[2-(5-fluoro-2-methylphenoxy)ethyl]-N-propylcyclopentan-1-amine?
2-[2-(5-fluoro-2-methylphenoxy)ethyl]-N-propylcyclopentan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-fluoro-2-methylphenoxy)ethyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 102981137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).