2-ethoxy-6-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]phenol

C18H23NO2 — CID 28652801

IUPAC2-ethoxy-6-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]phenol
SMILESCCOc1cccc(CN[C@H](C)c2ccccc2C)c1O
InChIInChI=1S/C18H23NO2/c1-4-21-17-11-7-9-15(18(17)20)12-19-14(3)16-10-6-5-8-13(16)2/h5-11,14,19-20H,4,12H2,1-3H3/t14-/m1/s1
InChIKeyONBGJLHBUJRTMT-CQSZACIVSA-N
MW285.39 g/mol
LogP3.95
Rot. Bonds6

About 2-ethoxy-6-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]phenol

2-ethoxy-6-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]phenol (PubChem CID 28652801) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-ethoxy-6-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]phenol
PubChem CID28652801
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-ethoxy-6-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]phenol
SMILESCCOc1cccc(CN[C@H](C)c2ccccc2C)c1O
InChIInChI=1S/C18H23NO2/c1-4-21-17-11-7-9-15(18(17)20)12-19-14(3)16-10-6-5-8-13(16)2/h5-11,14,19-20H,4,12H2,1-3H3/t14-/m1/s1
InChIKeyONBGJLHBUJRTMT-CQSZACIVSA-N
XLogP3.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652621
2-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-6-ethoxyphenol
CID 81378526
2-ethoxy-6-[(1-phenylethylamino)methyl]phenol
CID 43189900
4-[[1-(2-methylphenyl)ethylamino]methyl]benzene-1,2,3-triol
CID 103953068
2-[[1-(dimethylamino)propan-2-ylamino]methyl]-6-ethoxyphenol
CID 82938957
methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]propanoate
CID 60780617
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide
CID 54950309
2-ethoxy-6-[[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethylamino]methyl]phenol
CID 45236071
2-ethoxy-6-[(4,4,4-trifluorobutan-2-ylamino)methyl]phenol
CID 104854721
2-bromo-6-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81397811
2-ethoxy-6-[(2-methylbutylamino)methyl]phenol
CID 62693047
2-ethoxy-6-methylphenol
CID 14911944

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]phenol (CID 28652801) is 2-ethoxy-6-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]phenol is CCOc1cccc(CN[C@H](C)c2ccccc2C)c1O.
What is the InChIKey of 2-ethoxy-6-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]phenol?
The InChIKey is ONBGJLHBUJRTMT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-21-17-11-7-9-15(18(17)20)12-19-14(3)16-10-6-5-8-13(16)2/h5-11,14,19-20H,4,12H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-ethoxy-6-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]phenol?
2-ethoxy-6-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]phenol is sourced from PubChem (CID 28652801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).