N-[2-(3-fluorophenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C16H22FNO — CID 64865243

IUPACN-[2-(3-fluorophenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NCCc2cccc(F)c2)C2CCOC21
InChIInChI=1S/C16H22FNO/c1-16(2)14(13-7-9-19-15(13)16)18-8-6-11-4-3-5-12(17)10-11/h3-5,10,13-15,18H,6-9H2,1-2H3
InChIKeyFOADFPNTIMYFIM-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.77
Rot. Bonds4

About N-[2-(3-fluorophenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

N-[2-(3-fluorophenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64865243) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64865243
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NCCc2cccc(F)c2)C2CCOC21
InChIInChI=1S/C16H22FNO/c1-16(2)14(13-7-9-19-15(13)16)18-8-6-11-4-3-5-12(17)10-11/h3-5,10,13-15,18H,6-9H2,1-2H3
InChIKeyFOADFPNTIMYFIM-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64865045
N-[2-(3,4-dimethoxyphenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 75372997
8,8-dimethyl-N-(2-phenylethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863596
7,7-dimethyl-N-[2-(2-methylphenyl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 79762694
7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 54594844
(1S,5R,6R)-N-[2-(1H-indol-3-yl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 97043722
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-fluoropyridin-2-amine
CID 115646530
N-[1-(2,6-difluorophenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864680
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N',N'-dimethylethane-1,2-diamine
CID 64871843
7,7-dimethyl-N-(4,4,4-trifluorobutyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 113326974
N-(3-fluoro-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 79054635
(1S,5R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 97043726

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64865243) is N-[2-(3-fluorophenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C(NCCc2cccc(F)c2)C2CCOC21.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is FOADFPNTIMYFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-16(2)14(13-7-9-19-15(13)16)18-8-6-11-4-3-5-12(17)10-11/h3-5,10,13-15,18H,6-9H2,1-2H3.
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
N-[2-(3-fluorophenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 263.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64865243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).