N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C16H23FN2O — CID 81345182

IUPACN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCOc1ccc(F)cc1C(C)NC1CCN2CCCC12
InChIInChI=1S/C16H23FN2O/c1-11(13-10-12(17)5-6-16(13)20-2)18-14-7-9-19-8-3-4-15(14)19/h5-6,10-11,14-15,18H,3-4,7-9H2,1-2H3
InChIKeyGVPZDIIYEKNEFK-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.72
Rot. Bonds4

About N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 81345182) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID81345182
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCOc1ccc(F)cc1C(C)NC1CCN2CCCC12
InChIInChI=1S/C16H23FN2O/c1-11(13-10-12(17)5-6-16(13)20-2)18-14-7-9-19-8-3-4-15(14)19/h5-6,10-11,14-15,18H,3-4,7-9H2,1-2H3
InChIKeyGVPZDIIYEKNEFK-UHFFFAOYSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine with MolForge

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694423
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43728666
4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol
CID 43752358
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylthiolan-3-amine
CID 102671616
N-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694434
N-(3-fluoro-4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853624
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80704998
N-[1-(2-nitrophenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752333
3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 112553069
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694247
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine
CID 43747073

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 81345182) is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is COc1ccc(F)cc1C(C)NC1CCN2CCCC12.
What is the InChIKey of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is GVPZDIIYEKNEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-11(13-10-12(17)5-6-16(13)20-2)18-14-7-9-19-8-3-4-15(14)19/h5-6,10-11,14-15,18H,3-4,7-9H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 278.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 81345182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).