N-[phenyl(pyridin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C18H20N2O — CID 80714310

IUPACN-[phenyl(pyridin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESc1ccc(C(NC2CC3CCC2O3)c2ccccn2)cc1
InChIInChI=1S/C18H20N2O/c1-2-6-13(7-3-1)18(15-8-4-5-11-19-15)20-16-12-14-9-10-17(16)21-14/h1-8,11,14,16-18,20H,9-10,12H2
InChIKeyPYROUUFZBNATEP-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.08
Rot. Bonds4

About N-[phenyl(pyridin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

N-[phenyl(pyridin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80714310) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[phenyl(pyridin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[phenyl(pyridin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80714310
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[phenyl(pyridin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESc1ccc(C(NC2CC3CCC2O3)c2ccccn2)cc1
InChIInChI=1S/C18H20N2O/c1-2-6-13(7-3-1)18(15-8-4-5-11-19-15)20-16-12-14-9-10-17(16)21-14/h1-8,11,14,16-18,20H,9-10,12H2
InChIKeyPYROUUFZBNATEP-UHFFFAOYSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine
CID 62088543
trans-(1R,3R)-3-N,3-N-dimethyl-1-N-[(R)-phenyl(pyridin-2-yl)methyl]cyclopentane-1,3-diamine
CID 129446491
[(1R,4S)-4-[[phenyl(pyridin-2-yl)methyl]amino]cyclopent-2-en-1-yl]methanol
CID 86787519
N-[phenyl(pyridin-2-yl)methyl]pyrrol-1-amine
CID 79090024
(1R)-1-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 81389751
(2R,6R)-2,6-dimethyl-N-[(R)-phenyl(pyridin-2-yl)methyl]morpholine-4-sulfonamide
CID 98690603
2-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 60921142
methyl (3R)-3-[[(S)-phenyl(pyridin-2-yl)methyl]amino]pyrrolidine-1-carboxylate
CID 99781986
1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine
CID 115971963
2-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]benzene-1,3-diol
CID 107711100
2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 61039844
(5S,9S)-N-[(S)-phenyl(pyridin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 129398140

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(pyridin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[phenyl(pyridin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80714310) is N-[phenyl(pyridin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[phenyl(pyridin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[phenyl(pyridin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is c1ccc(C(NC2CC3CCC2O3)c2ccccn2)cc1.
What is the InChIKey of N-[phenyl(pyridin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is PYROUUFZBNATEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-6-13(7-3-1)18(15-8-4-5-11-19-15)20-16-12-14-9-10-17(16)21-14/h1-8,11,14,16-18,20H,9-10,12H2.
What are the key properties of N-[phenyl(pyridin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[phenyl(pyridin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 280.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(pyridin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80714310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).