N-[3-(3-fluorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C16H20FNO — CID 80714381

IUPACN-[3-(3-fluorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESFc1cccc(C2CC(NC3CC4CCC3O4)C2)c1
InChIInChI=1S/C16H20FNO/c17-12-3-1-2-10(6-12)11-7-13(8-11)18-15-9-14-4-5-16(15)19-14/h1-3,6,11,13-16,18H,4-5,7-9H2
InChIKeyAFBNFZDUAHNUBH-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.98
Rot. Bonds3

About N-[3-(3-fluorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine

N-[3-(3-fluorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80714381) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80714381
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC NameN-[3-(3-fluorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESFc1cccc(C2CC(NC3CC4CCC3O4)C2)c1
InChIInChI=1S/C16H20FNO/c17-12-3-1-2-10(6-12)11-7-13(8-11)18-15-9-14-4-5-16(15)19-14/h1-3,6,11,13-16,18H,4-5,7-9H2
InChIKeyAFBNFZDUAHNUBH-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-bromophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715267
N-[3-(4-chlorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715069
2-[[3-(3-fluorophenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile
CID 55153111
N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
CID 82686213
N-[3-(3-fluorophenyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842173
N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714876
3-[[3-(3-fluorophenyl)cyclobutyl]amino]piperidin-2-one
CID 62092486
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714327
3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine
CID 43635526
4-(3-fluorophenyl)-N-methylcyclohexan-1-amine
CID 82283505
2,5-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43736844
3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine
CID 43632505

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[3-(3-fluorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80714381) is N-[3-(3-fluorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[3-(3-fluorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[3-(3-fluorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine is Fc1cccc(C2CC(NC3CC4CCC3O4)C2)c1.
What is the InChIKey of N-[3-(3-fluorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is AFBNFZDUAHNUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c17-12-3-1-2-10(6-12)11-7-13(8-11)18-15-9-14-4-5-16(15)19-14/h1-3,6,11,13-16,18H,4-5,7-9H2.
What are the key properties of N-[3-(3-fluorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[3-(3-fluorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 261.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80714381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).