(2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol

C15H23NO3 — CID 7991496

IUPAC(2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol
SMILESC=CCOc1ccc(CNC[C@@H](C)O)cc1OCC
InChIInChI=1S/C15H23NO3/c1-4-8-19-14-7-6-13(9-15(14)18-5-2)11-16-10-12(3)17/h4,6-7,9,12,16-17H,1,5,8,10-11H2,2-3H3/t12-/m1/s1
InChIKeyBFUGMJSMSOWOSZ-GFCCVEGCSA-N
MW265.35 g/mol
LogP2.12
Rot. Bonds9

About (2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol

(2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol (PubChem CID 7991496) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol
PubChem CID7991496
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol
SMILESC=CCOc1ccc(CNC[C@@H](C)O)cc1OCC
InChIInChI=1S/C15H23NO3/c1-4-8-19-14-7-6-13(9-15(14)18-5-2)11-16-10-12(3)17/h4,6-7,9,12,16-17H,1,5,8,10-11H2,2-3H3/t12-/m1/s1
InChIKeyBFUGMJSMSOWOSZ-GFCCVEGCSA-N
XLogP2.12
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(3-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 51432607
N-[[3-ethoxy-4-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63056898
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]butan-1-amine;hydrochloride
CID 2959787
(2R)-1-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51997036
(3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(2S)-2-hydroxypropyl]azanium
CID 7991499
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 6457782
N-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)methanamine
CID 2213977
(2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51997058
(2S)-2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]butan-1-ol
CID 7993249
4-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]butanoic acid
CID 102536561
(2R)-1-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51432621
1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290477

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol (CID 7991496) is (2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol is C=CCOc1ccc(CNC[C@@H](C)O)cc1OCC.
What is the InChIKey of (2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol?
The InChIKey is BFUGMJSMSOWOSZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-8-19-14-7-6-13(9-15(14)18-5-2)11-16-10-12(3)17/h4,6-7,9,12,16-17H,1,5,8,10-11H2,2-3H3/t12-/m1/s1.
What are the key properties of (2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol?
(2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol has a molecular weight of 265.35 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 7991496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).