2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethoxy]ethanol

C12H21NO2 — CID 124526562

IUPAC2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethoxy]ethanol
SMILESOCCOCCNC[C@@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C12H21NO2/c14-4-6-15-5-3-13-9-12-8-10-1-2-11(12)7-10/h1-2,10-14H,3-9H2/t10-,11-,12-/m0/s1
InChIKeyZJRJELHVLYKDMF-SRVKXCTJSA-N
MW211.30 g/mol
LogP0.80
Rot. Bonds7

About 2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethoxy]ethanol

2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethoxy]ethanol (PubChem CID 124526562) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethoxy]ethanol
PubChem CID124526562
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethoxy]ethanol
SMILESOCCOCCNC[C@@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C12H21NO2/c14-4-6-15-5-3-13-9-12-8-10-1-2-11(12)7-10/h1-2,10-14H,3-9H2/t10-,11-,12-/m0/s1
InChIKeyZJRJELHVLYKDMF-SRVKXCTJSA-N
XLogP0.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
CID 98042869
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanol
CID 3154449
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethoxyethanamine
CID 43778399
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-ethoxypropan-1-amine
CID 98118056
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 115685556
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-ethoxybutan-1-amine
CID 115685518
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine
CID 99702172
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propanoic acid
CID 43774822
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butan-1-amine
CID 98118034
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-propan-2-yloxypropan-1-amine
CID 43225252
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3-dimethylbutan-1-amine
CID 115685496
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)hydroxylamine
CID 13440364

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethoxy]ethanol (CID 124526562) is 2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethoxy]ethanol is OCCOCCNC[C@@H]1C[C@H]2C=C[C@H]1C2.
What is the InChIKey of 2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethoxy]ethanol?
The InChIKey is ZJRJELHVLYKDMF-SRVKXCTJSA-N. The full InChI is InChI=1S/C12H21NO2/c14-4-6-15-5-3-13-9-12-8-10-1-2-11(12)7-10/h1-2,10-14H,3-9H2/t10-,11-,12-/m0/s1.
What are the key properties of 2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethoxy]ethanol?
2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethoxy]ethanol has a molecular weight of 211.30 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethoxy]ethanol is sourced from PubChem (CID 124526562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).