N-[(2-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C14H19NO2 — CID 80601611

IUPACN-[(2-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCOc1ccccc1CNC1CC2CCC1O2
InChIInChI=1S/C14H19NO2/c1-16-13-5-3-2-4-10(13)9-15-12-8-11-6-7-14(12)17-11/h2-5,11-12,14-15H,6-9H2,1H3
InChIKeyUGXXMTWKVMYFDI-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.10
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

N-[(2-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80601611) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80601611
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCOc1ccccc1CNC1CC2CCC1O2
InChIInChI=1S/C14H19NO2/c1-16-13-5-3-2-4-10(13)9-15-12-8-11-6-7-14(12)17-11/h2-5,11-12,14-15H,6-9H2,1H3
InChIKeyUGXXMTWKVMYFDI-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601706
N-[[2-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601425
N-[(2-prop-2-ynoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601915
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601911
N-[(2-methoxy-5-nitrophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715159
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601705
N-[(2-chloro-3-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 115694963
N-[(4-ethoxy-3-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601702
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80611753
N-[(2-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711434

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80601611) is N-[(2-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is COc1ccccc1CNC1CC2CCC1O2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is UGXXMTWKVMYFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-16-13-5-3-2-4-10(13)9-15-12-8-11-6-7-14(12)17-11/h2-5,11-12,14-15H,6-9H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[(2-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 233.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80601611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).