N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenoxy]methyl]prop-2-en-1-amine

C17H23NO2 — CID 19378868

IUPACN-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenoxy]methyl]prop-2-en-1-amine
SMILESC=CCNCOc1ccccc1OC1CC2CCC1C2
InChIInChI=1S/C17H23NO2/c1-2-9-18-12-19-15-5-3-4-6-16(15)20-17-11-13-7-8-14(17)10-13/h2-6,13-14,17-18H,1,7-12H2
InChIKeyMWZYSWXGMYCBQL-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.37
Rot. Bonds7

About N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenoxy]methyl]prop-2-en-1-amine

N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenoxy]methyl]prop-2-en-1-amine (PubChem CID 19378868) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenoxy]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenoxy]methyl]prop-2-en-1-amine
PubChem CID19378868
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenoxy]methyl]prop-2-en-1-amine
SMILESC=CCNCOc1ccccc1OC1CC2CCC1C2
InChIInChI=1S/C17H23NO2/c1-2-9-18-12-19-15-5-3-4-6-16(15)20-17-11-13-7-8-14(17)10-13/h2-6,13-14,17-18H,1,7-12H2
InChIKeyMWZYSWXGMYCBQL-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenoxy]methyl]prop-2-en-1-amine with MolForge

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Related Compounds

(1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane
CID 18556056
N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine
CID 114245396
[2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine
CID 152547672
methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate
CID 117053875
1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone
CID 117051795
(1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol
CID 114245584
(1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane
CID 102261355
[2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine
CID 114245403
3-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxybenzaldehyde
CID 129362758
3-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxybenzaldehyde
CID 14010156
2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane
CID 114245608
N-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine
CID 55092999

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenoxy]methyl]prop-2-en-1-amine?
The IUPAC name of N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenoxy]methyl]prop-2-en-1-amine (CID 19378868) is N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenoxy]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenoxy]methyl]prop-2-en-1-amine?
The canonical SMILES for N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenoxy]methyl]prop-2-en-1-amine is C=CCNCOc1ccccc1OC1CC2CCC1C2.
What is the InChIKey of N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenoxy]methyl]prop-2-en-1-amine?
The InChIKey is MWZYSWXGMYCBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-9-18-12-19-15-5-3-4-6-16(15)20-17-11-13-7-8-14(17)10-13/h2-6,13-14,17-18H,1,7-12H2.
What are the key properties of N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenoxy]methyl]prop-2-en-1-amine?
N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenoxy]methyl]prop-2-en-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenoxy]methyl]prop-2-en-1-amine is sourced from PubChem (CID 19378868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).