(2R)-1-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol

C20H27NO3 — CID 51997036

IUPAC(2R)-1-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
SMILESCCOc1cc(CNC[C@@H](C)O)ccc1OCc1ccccc1C
InChIInChI=1S/C20H27NO3/c1-4-23-20-11-17(13-21-12-16(3)22)9-10-19(20)24-14-18-8-6-5-7-15(18)2/h5-11,16,21-22H,4,12-14H2,1-3H3/t16-/m1/s1
InChIKeyOODDXTKZMOVCKD-MRXNPFEDSA-N
MW329.44 g/mol
LogP3.44
Rot. Bonds9

About (2R)-1-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol

(2R)-1-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol (PubChem CID 51997036) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2R)-1-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
PubChem CID51997036
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name(2R)-1-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
SMILESCCOc1cc(CNC[C@@H](C)O)ccc1OCc1ccccc1C
InChIInChI=1S/C20H27NO3/c1-4-23-20-11-17(13-21-12-16(3)22)9-10-19(20)24-14-18-8-6-5-7-15(18)2/h5-11,16,21-22H,4,12-14H2,1-3H3/t16-/m1/s1
InChIKeyOODDXTKZMOVCKD-MRXNPFEDSA-N
XLogP3.44
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[[3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51997132
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 4719506
2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propanoic acid
CID 66528181
(2R)-1-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51432621
(2S)-1-[(3-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 51432607
(2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51997058
(2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol
CID 7991496
1-[2-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17055015
(2R)-1-[2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethylamino]propan-2-ol
CID 8621370
N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66525983
2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17294955
2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]-4-methylsulfanylbutanoic acid
CID 66528192

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol (CID 51997036) is (2R)-1-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol is CCOc1cc(CNC[C@@H](C)O)ccc1OCc1ccccc1C.
What is the InChIKey of (2R)-1-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol?
The InChIKey is OODDXTKZMOVCKD-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27NO3/c1-4-23-20-11-17(13-21-12-16(3)22)9-10-19(20)24-14-18-8-6-5-7-15(18)2/h5-11,16,21-22H,4,12-14H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-1-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol?
(2R)-1-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol has a molecular weight of 329.44 g/mol, XLogP of 3.44, 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-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 51997036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).