(1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol

C14H23NO2 — CID 82951638

IUPAC(1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
SMILESCOCCN(c1ccc([C@@H](C)O)cc1)C(C)C
InChIInChI=1S/C14H23NO2/c1-11(2)15(9-10-17-4)14-7-5-13(6-8-14)12(3)16/h5-8,11-12,16H,9-10H2,1-4H3/t12-/m1/s1
InChIKeyAPCYMMSLVBUMOW-GFCCVEGCSA-N
MW237.34 g/mol
LogP2.60
Rot. Bonds6

About (1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol

(1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol (PubChem CID 82951638) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
PubChem CID82951638
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
SMILESCOCCN(c1ccc([C@@H](C)O)cc1)C(C)C
InChIInChI=1S/C14H23NO2/c1-11(2)15(9-10-17-4)14-7-5-13(6-8-14)12(3)16/h5-8,11-12,16H,9-10H2,1-4H3/t12-/m1/s1
InChIKeyAPCYMMSLVBUMOW-GFCCVEGCSA-N
XLogP2.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 114066905
N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 82951035
1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanone
CID 82951599
(1S)-1-[3-bromo-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82950797
1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82950972
(1S)-1-[5-[2-methoxyethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 103938942
(1S)-1-[4-[2-methoxyethyl(propan-2-yl)amino]-3-nitrophenyl]ethanol
CID 82951161
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005527
1-N-(2-methoxyethyl)-4-methyl-1-N-propan-2-ylbenzene-1,3-diamine
CID 82948626
4-[(1S)-1-aminoethyl]-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 78935497
(1R)-1-[3-bromo-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanol
CID 63372750
4-(chloromethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylaniline
CID 82951076

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol (CID 82951638) is (1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol is COCCN(c1ccc([C@@H](C)O)cc1)C(C)C.
What is the InChIKey of (1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol?
The InChIKey is APCYMMSLVBUMOW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)15(9-10-17-4)14-7-5-13(6-8-14)12(3)16/h5-8,11-12,16H,9-10H2,1-4H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol?
(1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol has a molecular weight of 237.34 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol is sourced from PubChem (CID 82951638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).