(1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol

C14H23NO2 — CID 55226911

IUPAC(1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol
SMILESCCOCCN(CC)c1ccccc1[C@@H](C)O
InChIInChI=1S/C14H23NO2/c1-4-15(10-11-17-5-2)14-9-7-6-8-13(14)12(3)16/h6-9,12,16H,4-5,10-11H2,1-3H3/t12-/m1/s1
InChIKeyBHKFNNVKNQAVFE-GFCCVEGCSA-N
MW237.34 g/mol
LogP2.60
Rot. Bonds7

About (1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol

(1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol (PubChem CID 55226911) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol
PubChem CID55226911
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol
SMILESCCOCCN(CC)c1ccccc1[C@@H](C)O
InChIInChI=1S/C14H23NO2/c1-4-15(10-11-17-5-2)14-9-7-6-8-13(14)12(3)16/h6-9,12,16H,4-5,10-11H2,1-3H3/t12-/m1/s1
InChIKeyBHKFNNVKNQAVFE-GFCCVEGCSA-N
XLogP2.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline
CID 63697735
(1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol
CID 79477163
1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386990
(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 63955607
1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol
CID 82939297
(1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 63371248
2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 63371338
2-(1-aminopropyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 112678005
1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol
CID 112678795
(1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol
CID 107399653
(1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol
CID 78939531
2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol
CID 78934890

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol (CID 55226911) is (1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol is CCOCCN(CC)c1ccccc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol?
The InChIKey is BHKFNNVKNQAVFE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-15(10-11-17-5-2)14-9-7-6-8-13(14)12(3)16/h6-9,12,16H,4-5,10-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol?
(1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol has a molecular weight of 237.34 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol is sourced from PubChem (CID 55226911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).