[2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine

C14H19NO — CID 152547672

IUPAC[2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine
SMILESNCc1ccccc1O[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C14H19NO/c15-9-12-3-1-2-4-13(12)16-14-8-10-5-6-11(14)7-10/h1-4,10-11,14H,5-9,15H2/t10-,11+,14-/m0/s1
InChIKeyYMVBGDXCHWAGDN-WDMOLILDSA-N
MW217.31 g/mol
LogP2.71
Rot. Bonds3

About [2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine

[2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine (PubChem CID 152547672) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is [2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine
PubChem CID152547672
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name[2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine
SMILESNCc1ccccc1O[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C14H19NO/c15-9-12-3-1-2-4-13(12)16-14-8-10-5-6-11(14)7-10/h1-4,10-11,14H,5-9,15H2/t10-,11+,14-/m0/s1
InChIKeyYMVBGDXCHWAGDN-WDMOLILDSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine with MolForge

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Related Compounds

[2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine
CID 114245403
N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine
CID 114245396
[2-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine
CID 114245408
[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine
CID 79554484
(1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane
CID 18556056
[4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorophenyl]methanamine
CID 117052546
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
2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane
CID 114245608
methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate
CID 117053875
N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenoxy]methyl]prop-2-en-1-amine
CID 19378868
2-[3-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine
CID 114246098

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine?
The IUPAC name of [2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine (CID 152547672) is [2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine.
What is the SMILES notation for [2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine?
The canonical SMILES for [2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine is NCc1ccccc1O[C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of [2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine?
The InChIKey is YMVBGDXCHWAGDN-WDMOLILDSA-N. The full InChI is InChI=1S/C14H19NO/c15-9-12-3-1-2-4-13(12)16-14-8-10-5-6-11(14)7-10/h1-4,10-11,14H,5-9,15H2/t10-,11+,14-/m0/s1.
What are the key properties of [2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine?
[2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine has a molecular weight of 217.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine is sourced from PubChem (CID 152547672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).