[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[2-(2-methoxyphenyl)ethyl]azanium

C16H24NO+ — CID 11904269

IUPAC[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[2-(2-methoxyphenyl)ethyl]azanium
SMILESCOc1ccccc1CC[NH2+][C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C16H23NO/c1-18-16-5-3-2-4-13(16)8-9-17-15-11-12-6-7-14(15)10-12/h2-5,12,14-15,17H,6-11H2,1H3/p+1/t12-,14+,15-/m0/s1
InChIKeyNCLWUZAGXIGDOM-CFVMTHIKSA-O
MW246.37 g/mol
LogP1.99
Rot. Bonds5

About [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[2-(2-methoxyphenyl)ethyl]azanium

[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[2-(2-methoxyphenyl)ethyl]azanium (PubChem CID 11904269) has the molecular formula C16H24NO+ and a molecular weight of 246.37 g/mol. Its IUPAC name is [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[2-(2-methoxyphenyl)ethyl]azanium.

Molecular Properties

Compound Name[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[2-(2-methoxyphenyl)ethyl]azanium
PubChem CID11904269
Molecular FormulaC16H24NO+
Molecular Weight246.37 g/mol
Exact Mass246.19
IUPAC Name[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[2-(2-methoxyphenyl)ethyl]azanium
SMILESCOc1ccccc1CC[NH2+][C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C16H23NO/c1-18-16-5-3-2-4-13(16)8-9-17-15-11-12-6-7-14(15)10-12/h2-5,12,14-15,17H,6-11H2,1H3/p+1/t12-,14+,15-/m0/s1
InChIKeyNCLWUZAGXIGDOM-CFVMTHIKSA-O
XLogP1.99
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[2-(2-methoxyphenyl)ethyl]azanium with MolForge

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Related Compounds

[(1R,2S)-2-methoxycyclohexyl]-[2-(2-methoxyphenyl)ethyl]azanium
CID 6940711
(1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane
CID 18556056
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 11926440
2-(2-bicyclo[2.2.1]heptanyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 4810871
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21175121
(1R,2R,4R)-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 98109752
[2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine
CID 114245403
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
[(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(2-methoxyphenyl)methyl]azanium
CID 8004670
[2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine
CID 152547672
N-[(2-methoxyphenyl)methyl]adamantan-2-amine
CID 784414
1-(3,3-dimethylbutyl)-2-methoxybenzene
CID 15437580

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[2-(2-methoxyphenyl)ethyl]azanium?
The IUPAC name of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[2-(2-methoxyphenyl)ethyl]azanium (CID 11904269) is [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[2-(2-methoxyphenyl)ethyl]azanium.
What is the SMILES notation for [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[2-(2-methoxyphenyl)ethyl]azanium?
The canonical SMILES for [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[2-(2-methoxyphenyl)ethyl]azanium is COc1ccccc1CC[NH2+][C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[2-(2-methoxyphenyl)ethyl]azanium?
The InChIKey is NCLWUZAGXIGDOM-CFVMTHIKSA-O. The full InChI is InChI=1S/C16H23NO/c1-18-16-5-3-2-4-13(16)8-9-17-15-11-12-6-7-14(15)10-12/h2-5,12,14-15,17H,6-11H2,1H3/p+1/t12-,14+,15-/m0/s1.
What are the key properties of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[2-(2-methoxyphenyl)ethyl]azanium?
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[2-(2-methoxyphenyl)ethyl]azanium has a molecular weight of 246.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[2-(2-methoxyphenyl)ethyl]azanium is sourced from PubChem (CID 11904269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).