N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine

C16H23NO — CID 114245396

IUPACN-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OC1CC2CCC1C2
InChIInChI=1S/C16H23NO/c1-2-17-11-14-5-3-4-6-15(14)18-16-10-12-7-8-13(16)9-12/h3-6,12-13,16-17H,2,7-11H2,1H3
InChIKeySYCDOVZVJRAJRO-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.36
Rot. Bonds5

About N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine

N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine (PubChem CID 114245396) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine
PubChem CID114245396
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OC1CC2CCC1C2
InChIInChI=1S/C16H23NO/c1-2-17-11-14-5-3-4-6-15(14)18-16-10-12-7-8-13(16)9-12/h3-6,12-13,16-17H,2,7-11H2,1H3
InChIKeySYCDOVZVJRAJRO-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
(1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol
CID 114245584
N-[(2-cyclohexyloxyphenyl)methyl]ethanamine
CID 43277237
methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate
CID 117053875
1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone
CID 117051795
N-[[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 79562030
N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenoxy]methyl]prop-2-en-1-amine
CID 19378868
[2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine
CID 114245403
2-(2-bicyclo[2.2.1]heptanyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 4810871
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 11926440
2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-6-ethoxyphenol
CID 62734100

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine (CID 114245396) is N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine is CCNCc1ccccc1OC1CC2CCC1C2.
What is the InChIKey of N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine?
The InChIKey is SYCDOVZVJRAJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-17-11-14-5-3-4-6-15(14)18-16-10-12-7-8-13(16)9-12/h3-6,12-13,16-17H,2,7-11H2,1H3.
What are the key properties of N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine?
N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine has a molecular weight of 245.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 114245396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).