1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxyphenyl]-N-methylmethanamine

C17H25NO2 — CID 79554576

IUPAC1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)ccc1OCC1CC2CCC1C2
InChIInChI=1S/C17H25NO2/c1-18-10-14-9-16(19-2)5-6-17(14)20-11-15-8-12-3-4-13(15)7-12/h5-6,9,12-13,15,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyVGZMEAYQDVZKHL-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.23
Rot. Bonds6

About 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxyphenyl]-N-methylmethanamine

1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxyphenyl]-N-methylmethanamine (PubChem CID 79554576) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
PubChem CID79554576
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)ccc1OCC1CC2CCC1C2
InChIInChI=1S/C17H25NO2/c1-18-10-14-9-16(19-2)5-6-17(14)20-11-15-8-12-3-4-13(15)7-12/h5-6,9,12-13,15,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyVGZMEAYQDVZKHL-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 43560073
1-(2-ethoxy-5-methoxyphenyl)-N-methylmethanamine
CID 43276259
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608431
[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol
CID 79552519
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine
CID 115960993
1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 54957615
1-[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 64748456
1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine
CID 65158967
4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline
CID 79554738
[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine
CID 79554484
1-(2-but-2-ynoxy-5-methoxyphenyl)-N-methylmethanamine
CID 62311325
1-[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60878143

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxyphenyl]-N-methylmethanamine (CID 79554576) is 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxyphenyl]-N-methylmethanamine is CNCc1cc(OC)ccc1OCC1CC2CCC1C2.
What is the InChIKey of 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxyphenyl]-N-methylmethanamine?
The InChIKey is VGZMEAYQDVZKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18-10-14-9-16(19-2)5-6-17(14)20-11-15-8-12-3-4-13(15)7-12/h5-6,9,12-13,15,18H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxyphenyl]-N-methylmethanamine?
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxyphenyl]-N-methylmethanamine has a molecular weight of 275.39 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 79554576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).