[2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine

C15H21NO2 — CID 114245403

IUPAC[2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine
SMILESCOc1cccc(CN)c1OC1CC2CCC1C2
InChIInChI=1S/C15H21NO2/c1-17-13-4-2-3-12(9-16)15(13)18-14-8-10-5-6-11(14)7-10/h2-4,10-11,14H,5-9,16H2,1H3
InChIKeyLHCJULSLHCRNFU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.72
Rot. Bonds4

About [2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine

[2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine (PubChem CID 114245403) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine
PubChem CID114245403
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine
SMILESCOc1cccc(CN)c1OC1CC2CCC1C2
InChIInChI=1S/C15H21NO2/c1-17-13-4-2-3-12(9-16)15(13)18-14-8-10-5-6-11(14)7-10/h2-4,10-11,14H,5-9,16H2,1H3
InChIKeyLHCJULSLHCRNFU-UHFFFAOYSA-N
XLogP2.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine
CID 152547672
(1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane
CID 18556056
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
[2-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine
CID 114245408
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
(1R,2R,4R)-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 98109752
N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine
CID 114245396
[3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine
CID 117052051
2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane
CID 114245608
(2-butan-2-yloxy-3-methoxyphenyl)methanamine
CID 43471450
[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine
CID 79554484
[2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine
CID 54793715

Frequently Asked Questions

What is the IUPAC name of [2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine?
The IUPAC name of [2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine (CID 114245403) is [2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine?
The canonical SMILES for [2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine is COc1cccc(CN)c1OC1CC2CCC1C2.
What is the InChIKey of [2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine?
The InChIKey is LHCJULSLHCRNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-17-13-4-2-3-12(9-16)15(13)18-14-8-10-5-6-11(14)7-10/h2-4,10-11,14H,5-9,16H2,1H3.
What are the key properties of [2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine?
[2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine has a molecular weight of 247.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine is sourced from PubChem (CID 114245403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).