3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol

C14H21NO2 — CID 99629144

IUPAC3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol
SMILESC[C@@H](N[C@H](C)[C@@H]1CCOC1)c1cccc(O)c1
InChIInChI=1S/C14H21NO2/c1-10(12-4-3-5-14(16)8-12)15-11(2)13-6-7-17-9-13/h3-5,8,10-11,13,15-16H,6-7,9H2,1-2H3/t10-,11-,13-/m1/s1
InChIKeyKVWRUSPKDYCPOK-NQBHXWOUSA-N
MW235.33 g/mol
LogP2.47
Rot. Bonds4

About 3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol

3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol (PubChem CID 99629144) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol.

Molecular Properties

Compound Name3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol
PubChem CID99629144
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol
SMILESC[C@@H](N[C@H](C)[C@@H]1CCOC1)c1cccc(O)c1
InChIInChI=1S/C14H21NO2/c1-10(12-4-3-5-14(16)8-12)15-11(2)13-6-7-17-9-13/h3-5,8,10-11,13,15-16H,6-7,9H2,1-2H3/t10-,11-,13-/m1/s1
InChIKeyKVWRUSPKDYCPOK-NQBHXWOUSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 113483469
3-[1-(oxolan-3-yl)ethyl]phenol
CID 115019111
1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 115704677
3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113366833
N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115718211
3-[2-amino-1-(oxolan-3-yl)ethyl]phenol
CID 105460621
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115713183
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol
CID 43748459
3-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide
CID 103911153
3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol
CID 43748462
N,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline
CID 115723946

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol?
The IUPAC name of 3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol (CID 99629144) is 3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol.
What is the SMILES notation for 3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol?
The canonical SMILES for 3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol is C[C@@H](N[C@H](C)[C@@H]1CCOC1)c1cccc(O)c1.
What is the InChIKey of 3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol?
The InChIKey is KVWRUSPKDYCPOK-NQBHXWOUSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(12-4-3-5-14(16)8-12)15-11(2)13-6-7-17-9-13/h3-5,8,10-11,13,15-16H,6-7,9H2,1-2H3/t10-,11-,13-/m1/s1.
What are the key properties of 3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol?
3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol is sourced from PubChem (CID 99629144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).