[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine

C15H21NO — CID 79554484

IUPAC[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine
SMILESNCc1ccccc1OCC1CC2CCC1C2
InChIInChI=1S/C15H21NO/c16-9-13-3-1-2-4-15(13)17-10-14-8-11-5-6-12(14)7-11/h1-4,11-12,14H,5-10,16H2
InChIKeyBAKZUBKETSMSGX-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.96
Rot. Bonds4

About [2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine

[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine (PubChem CID 79554484) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is [2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine
PubChem CID79554484
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine
SMILESNCc1ccccc1OCC1CC2CCC1C2
InChIInChI=1S/C15H21NO/c16-9-13-3-1-2-4-15(13)17-10-14-8-11-5-6-12(14)7-11/h1-4,11-12,14H,5-10,16H2
InChIKeyBAKZUBKETSMSGX-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.96
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
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]ethanol
CID 79552161
2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]ethanamine
CID 79562530
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylaniline
CID 63687901
2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine
CID 112614818
[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol
CID 79552519
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine
CID 107701303
2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine
CID 79563052
2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]bicyclo[2.2.1]heptane
CID 79559319
4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline
CID 79554738
N-[[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 79562030
5-(2-bicyclo[2.2.1]heptanylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 103044970

Frequently Asked Questions

What is the IUPAC name of [2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine?
The IUPAC name of [2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine (CID 79554484) is [2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine.
What is the SMILES notation for [2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine?
The canonical SMILES for [2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine is NCc1ccccc1OCC1CC2CCC1C2.
What is the InChIKey of [2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine?
The InChIKey is BAKZUBKETSMSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c16-9-13-3-1-2-4-15(13)17-10-14-8-11-5-6-12(14)7-11/h1-4,11-12,14H,5-10,16H2.
What are the key properties of [2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine?
[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine has a molecular weight of 231.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine is sourced from PubChem (CID 79554484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).