N-(2-methoxyphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C15H21NO2 — CID 64870455

IUPACN-(2-methoxyphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCOc1ccccc1NC1C2CCOC2C1(C)C
InChIInChI=1S/C15H21NO2/c1-15(2)13(10-8-9-18-14(10)15)16-11-6-4-5-7-12(11)17-3/h4-7,10,13-14,16H,8-9H2,1-3H3
InChIKeyZMECGIQQGVNMBL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.92
Rot. Bonds3

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

N-(2-methoxyphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64870455) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64870455
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(2-methoxyphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCOc1ccccc1NC1C2CCOC2C1(C)C
InChIInChI=1S/C15H21NO2/c1-15(2)13(10-8-9-18-14(10)15)16-11-6-4-5-7-12(11)17-3/h4-7,10,13-14,16H,8-9H2,1-3H3
InChIKeyZMECGIQQGVNMBL-UHFFFAOYSA-N
XLogP2.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64870071
N-(2-methoxy-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872051
N-(4,5-dimethoxy-2-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863124
(1S,5R,6R)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 97336155
N-(4-methoxy-3-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863144
N-(2-ethylsulfonylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863699
7,7-dimethyl-N-[2-(trifluoromethylsulfanyl)phenyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864465
N-(2-chloro-5-methoxyphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864105
N-(2-iodophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863606
2-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111815669
(3S)-3-[[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-1-(2-methoxyphenyl)piperidin-2-one
CID 129446348
(3S)-3-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-1-(2-methoxyphenyl)piperidin-2-one
CID 129446347

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of N-(2-methoxyphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64870455) is N-(2-methoxyphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for N-(2-methoxyphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is COc1ccccc1NC1C2CCOC2C1(C)C.
What is the InChIKey of N-(2-methoxyphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is ZMECGIQQGVNMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2)13(10-8-9-18-14(10)15)16-11-6-4-5-7-12(11)17-3/h4-7,10,13-14,16H,8-9H2,1-3H3.
What are the key properties of N-(2-methoxyphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
N-(2-methoxyphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 247.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64870455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).